N,4-diethyl-N,2,4-trimethylhexan-1-amine

C13H29N — CID 123611396

IUPACN,4-diethyl-N,2,4-trimethylhexan-1-amine
SMILESCCN(C)CC(C)CC(C)(CC)CC
InChIInChI=1S/C13H29N/c1-7-13(5,8-2)10-12(4)11-14(6)9-3/h12H,7-11H2,1-6H3
InChIKeyQSKBYACUYRHQRV-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds7

About N,4-diethyl-N,2,4-trimethylhexan-1-amine

N,4-diethyl-N,2,4-trimethylhexan-1-amine (PubChem CID 123611396) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,4-diethyl-N,2,4-trimethylhexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-N,2,4-trimethylhexan-1-amine
PubChem CID123611396
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,4-diethyl-N,2,4-trimethylhexan-1-amine
SMILESCCN(C)CC(C)CC(C)(CC)CC
InChIInChI=1S/C13H29N/c1-7-13(5,8-2)10-12(4)11-14(6)9-3/h12H,7-11H2,1-6H3
InChIKeyQSKBYACUYRHQRV-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N,2,4,4-tetramethylpentan-1-amine
CID 163702112
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
CID 89276532
N-ethyl-N,2-dimethylpent-4-en-1-amine
CID 139352372
(2R)-1-[ethyl(methyl)amino]propane-2-thiol
CID 134269969
N,N-dimethylmethanamine;3-ethyl-3-methylpentane;methane;3-methylpentane;2-methylpropane
CID 158967463
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
N',2-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63981166

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N,2,4-trimethylhexan-1-amine?
The IUPAC name of N,4-diethyl-N,2,4-trimethylhexan-1-amine (CID 123611396) is N,4-diethyl-N,2,4-trimethylhexan-1-amine.
What is the SMILES notation for N,4-diethyl-N,2,4-trimethylhexan-1-amine?
The canonical SMILES for N,4-diethyl-N,2,4-trimethylhexan-1-amine is CCN(C)CC(C)CC(C)(CC)CC.
What is the InChIKey of N,4-diethyl-N,2,4-trimethylhexan-1-amine?
The InChIKey is QSKBYACUYRHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-13(5,8-2)10-12(4)11-14(6)9-3/h12H,7-11H2,1-6H3.
What are the key properties of N,4-diethyl-N,2,4-trimethylhexan-1-amine?
N,4-diethyl-N,2,4-trimethylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N,2,4-trimethylhexan-1-amine is sourced from PubChem (CID 123611396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).