N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one

C142H303N13O14 — CID 162111956

IUPACN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)NC(C)(C)C.CC(C)(C)COCCNC(C)(C)C.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)OCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3.C14H30N2O.C14H30N2.C12H26N2.C12H25NO2.C12H24O3.C12H26O.C11H25NO.C11H24O2.C10H21NO2.C10H21NO.C10H20O/c1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-15-8-7-10(14)13-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-13-8-7-12-11(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-8(2)13-7-6-9(12)11-10(3,4)5;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3,(H,13,14);7-9H2,1-6H3;7-10H2,1-6H3;12H,7-9H2,1-6H3;7-9H2,1-6H3;8H,6-7H2,1-5H3,(H,11,12);7H2,1-6H3,(H,11,12);7H2,1-6H3
InChIKeyZGGQMYUFOOYROD-UHFFFAOYSA-N
MW2417.06 g/mol
LogP30.31
Rot. Bonds34

About N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one (PubChem CID 162111956) has the molecular formula C142H303N13O14 and a molecular weight of 2417.06 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one
PubChem CID162111956
Molecular FormulaC142H303N13O14
Molecular Weight2417.06 g/mol
Exact Mass2415.34
IUPAC NameN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)NC(C)(C)C.CC(C)(C)COCCNC(C)(C)C.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)OCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3.C14H30N2O.C14H30N2.C12H26N2.C12H25NO2.C12H24O3.C12H26O.C11H25NO.C11H24O2.C10H21NO2.C10H21NO.C10H20O/c1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-15-8-7-10(14)13-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-13-8-7-12-11(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-8(2)13-7-6-9(12)11-10(3,4)5;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3,(H,13,14);7-9H2,1-6H3;7-10H2,1-6H3;12H,7-9H2,1-6H3;7-9H2,1-6H3;8H,6-7H2,1-5H3,(H,11,12);7H2,1-6H3,(H,11,12);7H2,1-6H3
InChIKeyZGGQMYUFOOYROD-UHFFFAOYSA-N
XLogP30.31
TPSA254.49 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002417.06
LogP ≤ 530.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?
The IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one (CID 162111956) is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one.
What is the SMILES notation for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?
The canonical SMILES for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one is CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)NC(C)(C)C.CC(C)(C)COCCNC(C)(C)C.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)OCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?
The InChIKey is ZGGQMYUFOOYROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.C14H30N2O.C14H30N2.C12H26N2.C12H25NO2.C12H24O3.C12H26O.C11H25NO.C11H24O2.C10H21NO2.C10H21NO.C10H20O/c1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-15-8-7-10(14)13-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-13-8-7-12-11(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-8(2)13-7-6-9(12)11-10(3,4)5;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3,(H,13,14);7-9H2,1-6H3;7-10H2,1-6H3;12H,7-9H2,1-6H3;7-9H2,1-6H3;8H,6-7H2,1-5H3,(H,11,12);7H2,1-6H3,(H,11,12);7H2,1-6H3.
What are the key properties of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?
N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 2417.06 g/mol, XLogP of 30.31, 34 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 162111956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).