(4S)-N-ethyl-5-methylnonan-4-amine

C12H27N — CID 138564824

IUPAC(4S)-N-ethyl-5-methylnonan-4-amine
SMILESCCCCC(C)[C@H](CCC)NCC
InChIInChI=1S/C12H27N/c1-5-8-10-11(4)12(9-6-2)13-7-3/h11-13H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKeyZIOLOPHTXXBKKM-KIYNQFGBSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About (4S)-N-ethyl-5-methylnonan-4-amine

(4S)-N-ethyl-5-methylnonan-4-amine (PubChem CID 138564824) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (4S)-N-ethyl-5-methylnonan-4-amine.

Molecular Properties

Compound Name(4S)-N-ethyl-5-methylnonan-4-amine
PubChem CID138564824
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(4S)-N-ethyl-5-methylnonan-4-amine
SMILESCCCCC(C)[C@H](CCC)NCC
InChIInChI=1S/C12H27N/c1-5-8-10-11(4)12(9-6-2)13-7-3/h11-13H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKeyZIOLOPHTXXBKKM-KIYNQFGBSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-N-ethyl-5-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

N-ethyl-5-methyltridecan-6-amine
CID 114246331
N,5-diethylnonan-4-amine
CID 83051951
N-ethyl-4-methyldec-9-en-5-amine
CID 104987082
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
N-ethyl-3-methyl-1-pyridin-4-ylheptan-2-amine
CID 114246475
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
4-methyl-N-propyldecan-5-amine
CID 115837654
N-ethyl-1,1-difluoropentan-2-amine
CID 80604281
N-ethyl-2,2,3-trimethylheptan-4-amine
CID 83050802
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257

Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethyl-5-methylnonan-4-amine?
The IUPAC name of (4S)-N-ethyl-5-methylnonan-4-amine (CID 138564824) is (4S)-N-ethyl-5-methylnonan-4-amine.
What is the SMILES notation for (4S)-N-ethyl-5-methylnonan-4-amine?
The canonical SMILES for (4S)-N-ethyl-5-methylnonan-4-amine is CCCCC(C)[C@H](CCC)NCC.
What is the InChIKey of (4S)-N-ethyl-5-methylnonan-4-amine?
The InChIKey is ZIOLOPHTXXBKKM-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H27N/c1-5-8-10-11(4)12(9-6-2)13-7-3/h11-13H,5-10H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (4S)-N-ethyl-5-methylnonan-4-amine?
(4S)-N-ethyl-5-methylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-5-methylnonan-4-amine is sourced from PubChem (CID 138564824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).