N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine

C103H233N9 — CID 158524506

IUPACN-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCC(C)CN(CC)CC(C)(C)C.CCCC(C)CN(CC)CC(C)(C)C.CCCCCCN(CC)CC(C)(C)C.CCCCCN(CC)CC(C)(C)C.CCCCN(CC)CC(C)(C)C.CCCN(CC)CC(C)(C)C.CCN(CC(C)C)CC(C)(C)C.CCN(CC)CC(C)(C)C.CCN(CCC(C)C)CC(C)(C)C
InChIInChI=1S/2C13H29N.3C12H27N.2C11H25N.C10H23N.C9H21N/c1-7-9-12(3)10-14(8-2)11-13(4,5)6;1-6-8-9-10-11-14(7-2)12-13(3,4)5;1-7-13(9-8-11(2)3)10-12(4,5)6;1-7-11(3)9-13(8-2)10-12(4,5)6;1-6-8-9-10-13(7-2)11-12(3,4)5;1-7-12(8-10(2)3)9-11(4,5)6;1-6-8-9-12(7-2)10-11(3,4)5;1-6-8-11(7-2)9-10(3,4)5;1-6-10(7-2)8-9(3,4)5/h12H,7-11H2,1-6H3;6-12H2,1-5H3;2*11H,7-10H2,1-6H3;6-11H2,1-5H3;10H,7-9H2,1-6H3;6-10H2,1-5H3;6-9H2,1-5H3;6-8H2,1-5H3
InChIKeyHMPVVCAWQKHVBP-UHFFFAOYSA-N
MW1598.06 g/mol
LogP29.37
Rot. Bonds45

About N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine

N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 158524506) has the molecular formula C103H233N9 and a molecular weight of 1598.06 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID158524506
Molecular FormulaC103H233N9
Molecular Weight1598.06 g/mol
Exact Mass1596.85
IUPAC NameN-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCC(C)CN(CC)CC(C)(C)C.CCCC(C)CN(CC)CC(C)(C)C.CCCCCCN(CC)CC(C)(C)C.CCCCCN(CC)CC(C)(C)C.CCCCN(CC)CC(C)(C)C.CCCN(CC)CC(C)(C)C.CCN(CC(C)C)CC(C)(C)C.CCN(CC)CC(C)(C)C.CCN(CCC(C)C)CC(C)(C)C
InChIInChI=1S/2C13H29N.3C12H27N.2C11H25N.C10H23N.C9H21N/c1-7-9-12(3)10-14(8-2)11-13(4,5)6;1-6-8-9-10-11-14(7-2)12-13(3,4)5;1-7-13(9-8-11(2)3)10-12(4,5)6;1-7-11(3)9-13(8-2)10-12(4,5)6;1-6-8-9-10-13(7-2)11-12(3,4)5;1-7-12(8-10(2)3)9-11(4,5)6;1-6-8-9-12(7-2)10-11(3,4)5;1-6-8-11(7-2)9-10(3,4)5;1-6-10(7-2)8-9(3,4)5/h12H,7-11H2,1-6H3;6-12H2,1-5H3;2*11H,7-10H2,1-6H3;6-11H2,1-5H3;10H,7-9H2,1-6H3;6-10H2,1-5H3;6-9H2,1-5H3;6-8H2,1-5H3
InChIKeyHMPVVCAWQKHVBP-UHFFFAOYSA-N
XLogP29.37
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds45
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001598.06
LogP ≤ 529.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine 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-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
CID 138647215
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
CID 171517809

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine (CID 158524506) is N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine is CCC(C)CN(CC)CC(C)(C)C.CCCC(C)CN(CC)CC(C)(C)C.CCCCCCN(CC)CC(C)(C)C.CCCCCN(CC)CC(C)(C)C.CCCCN(CC)CC(C)(C)C.CCCN(CC)CC(C)(C)C.CCN(CC(C)C)CC(C)(C)C.CCN(CC)CC(C)(C)C.CCN(CCC(C)C)CC(C)(C)C.
What is the InChIKey of N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is HMPVVCAWQKHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H29N.3C12H27N.2C11H25N.C10H23N.C9H21N/c1-7-9-12(3)10-14(8-2)11-13(4,5)6;1-6-8-9-10-11-14(7-2)12-13(3,4)5;1-7-13(9-8-11(2)3)10-12(4,5)6;1-7-11(3)9-13(8-2)10-12(4,5)6;1-6-8-9-10-13(7-2)11-12(3,4)5;1-7-12(8-10(2)3)9-11(4,5)6;1-6-8-9-12(7-2)10-11(3,4)5;1-6-8-11(7-2)9-10(3,4)5;1-6-10(7-2)8-9(3,4)5/h12H,7-11H2,1-6H3;6-12H2,1-5H3;2*11H,7-10H2,1-6H3;6-11H2,1-5H3;10H,7-9H2,1-6H3;6-10H2,1-5H3;6-9H2,1-5H3;6-8H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine?
N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 1598.06 g/mol, XLogP of 29.37, 45 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 158524506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).