N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane

C124H263F2N15O11 — CID 159382130

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane
SMILESCC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CCNCCO.CCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.C8H19N.C7H17NO.C6H12.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-7(2)3-4-8-5-6-9;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;7-9H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3
InChIKeyLLAVSFFTTASQHJ-UHFFFAOYSA-N
MW2178.56 g/mol
LogP22.04
Rot. Bonds47

About N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane

N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane (PubChem CID 159382130) has the molecular formula C124H263F2N15O11 and a molecular weight of 2178.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane
PubChem CID159382130
Molecular FormulaC124H263F2N15O11
Molecular Weight2178.56 g/mol
Exact Mass2177.04
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane
SMILESCC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CCNCCO.CCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.C8H19N.C7H17NO.C6H12.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-7(2)3-4-8-5-6-9;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;7-9H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3
InChIKeyLLAVSFFTTASQHJ-UHFFFAOYSA-N
XLogP22.04
TPSA235.49 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds47
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.56
LogP ≤ 522.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine
CID 158177439
N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane
CID 158950812
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 160175777

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane (CID 159382130) is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane is CC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CCNCCO.CCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane?
The InChIKey is LLAVSFFTTASQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.C8H19N.C7H17NO.C6H12.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-7(2)3-4-8-5-6-9;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;7-9H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane?
N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane has a molecular weight of 2178.56 g/mol, XLogP of 22.04, 47 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane is sourced from PubChem (CID 159382130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).