3-ethyl-6-methylnonan-4-amine

C12H27N — CID 115845628

IUPAC3-ethyl-6-methylnonan-4-amine
SMILESCCCC(C)CC(N)C(CC)CC
InChIInChI=1S/C12H27N/c1-5-8-10(4)9-12(13)11(6-2)7-3/h10-12H,5-9,13H2,1-4H3
InChIKeyBVQXYXKLBRCMIF-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds7

About 3-ethyl-6-methylnonan-4-amine

3-ethyl-6-methylnonan-4-amine (PubChem CID 115845628) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-ethyl-6-methylnonan-4-amine.

Molecular Properties

Compound Name3-ethyl-6-methylnonan-4-amine
PubChem CID115845628
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-ethyl-6-methylnonan-4-amine
SMILESCCCC(C)CC(N)C(CC)CC
InChIInChI=1S/C12H27N/c1-5-8-10(4)9-12(13)11(6-2)7-3/h10-12H,5-9,13H2,1-4H3
InChIKeyBVQXYXKLBRCMIF-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-6-methylnonan-4-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

5-methyloctan-3-amine
CID 62599907
2-methoxy-5-methyloctan-3-amine
CID 79616792
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
5,9-diethyltridecane-6,8-diamine
CID 57146972
6-ethyl-4,7-dimethylundecane
CID 123910768
3-amino-4-ethylhexan-1-ol
CID 17039430
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141
4-methylheptane
CID 91413347
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylnonan-4-amine?
The IUPAC name of 3-ethyl-6-methylnonan-4-amine (CID 115845628) is 3-ethyl-6-methylnonan-4-amine.
What is the SMILES notation for 3-ethyl-6-methylnonan-4-amine?
The canonical SMILES for 3-ethyl-6-methylnonan-4-amine is CCCC(C)CC(N)C(CC)CC.
What is the InChIKey of 3-ethyl-6-methylnonan-4-amine?
The InChIKey is BVQXYXKLBRCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-8-10(4)9-12(13)11(6-2)7-3/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 3-ethyl-6-methylnonan-4-amine?
3-ethyl-6-methylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylnonan-4-amine is sourced from PubChem (CID 115845628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).