N-ethyl-N,3,5-trimethylheptan-3-amine

C12H27N — CID 155392706

IUPACN-ethyl-N,3,5-trimethylheptan-3-amine
SMILESCCC(C)CC(C)(CC)N(C)CC
InChIInChI=1S/C12H27N/c1-7-11(4)10-12(5,8-2)13(6)9-3/h11H,7-10H2,1-6H3
InChIKeyGZXHCNLGUFSFLK-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-N,3,5-trimethylheptan-3-amine

N-ethyl-N,3,5-trimethylheptan-3-amine (PubChem CID 155392706) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethylheptan-3-amine
PubChem CID155392706
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-N,3,5-trimethylheptan-3-amine
SMILESCCC(C)CC(C)(CC)N(C)CC
InChIInChI=1S/C12H27N/c1-7-11(4)10-12(5,8-2)13(6)9-3/h11H,7-10H2,1-6H3
InChIKeyGZXHCNLGUFSFLK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
CID 176976752
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
N-ethyl-N,3-dimethylheptan-3-amine
CID 123202757
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine
CID 146347194
3,3,5,7-tetramethylnonane
CID 57490983
N,N-dimethylmethanamine;3-ethyl-3-methylpentane;methane;3-methylpentane;2-methylpropane
CID 158967463
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethylheptan-3-amine?
The IUPAC name of N-ethyl-N,3,5-trimethylheptan-3-amine (CID 155392706) is N-ethyl-N,3,5-trimethylheptan-3-amine.
What is the SMILES notation for N-ethyl-N,3,5-trimethylheptan-3-amine?
The canonical SMILES for N-ethyl-N,3,5-trimethylheptan-3-amine is CCC(C)CC(C)(CC)N(C)CC.
What is the InChIKey of N-ethyl-N,3,5-trimethylheptan-3-amine?
The InChIKey is GZXHCNLGUFSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-11(4)10-12(5,8-2)13(6)9-3/h11H,7-10H2,1-6H3.
What are the key properties of N-ethyl-N,3,5-trimethylheptan-3-amine?
N-ethyl-N,3,5-trimethylheptan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethylheptan-3-amine is sourced from PubChem (CID 155392706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).