(2S)-2-amino-4-ethylheptan-1-ol

C9H21NO — CID 145497284

IUPAC(2S)-2-amino-4-ethylheptan-1-ol
SMILESCCCC(CC)C[C@H](N)CO
InChIInChI=1S/C9H21NO/c1-3-5-8(4-2)6-9(10)7-11/h8-9,11H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyFNYGLAVSFIWVHS-GKAPJAKFSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds6

About (2S)-2-amino-4-ethylheptan-1-ol

(2S)-2-amino-4-ethylheptan-1-ol (PubChem CID 145497284) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-2-amino-4-ethylheptan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-ethylheptan-1-ol
PubChem CID145497284
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-2-amino-4-ethylheptan-1-ol
SMILESCCCC(CC)C[C@H](N)CO
InChIInChI=1S/C9H21NO/c1-3-5-8(4-2)6-9(10)7-11/h8-9,11H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyFNYGLAVSFIWVHS-GKAPJAKFSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-4-ethylheptan-1-ol 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

6-ethyloctan-4-amine
CID 82920638
4-amino-2-ethylhexan-1-ol
CID 148917024
2-propylhexane-1,4-diamine
CID 174915124
4-ethyl-2-pentylheptan-1-ol
CID 23315856
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
2-amino-4-methylhexan-1-ol;hydrochloride
CID 55253854
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
4-ethyl-2-methylheptane;methane
CID 160575103
diethyl 2-(2-ethylpentyl)propanedioate
CID 174912897
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
4-ethylheptane;methane
CID 143165373
3-amino-6-ethyl-4-methylnonanoic acid
CID 11390279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-ethylheptan-1-ol?
The IUPAC name of (2S)-2-amino-4-ethylheptan-1-ol (CID 145497284) is (2S)-2-amino-4-ethylheptan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-ethylheptan-1-ol?
The canonical SMILES for (2S)-2-amino-4-ethylheptan-1-ol is CCCC(CC)C[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-4-ethylheptan-1-ol?
The InChIKey is FNYGLAVSFIWVHS-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-8(4-2)6-9(10)7-11/h8-9,11H,3-7,10H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-4-ethylheptan-1-ol?
(2S)-2-amino-4-ethylheptan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-ethylheptan-1-ol is sourced from PubChem (CID 145497284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).