(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol

C11H21NO — CID 14478714

IUPAC(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11-/m0/s1
InChIKeyZOEIDLHSPUJXOJ-QWRGUYRKSA-N
MW183.30 g/mol
LogP1.83
Rot. Bonds4

About (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol

(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol (PubChem CID 14478714) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
PubChem CID14478714
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11-/m0/s1
InChIKeyZOEIDLHSPUJXOJ-QWRGUYRKSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-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

(4S)-4-amino-6-methylhept-1-en-3-ol
CID 14033272
(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol
CID 11009169
Cyclohexanol, 2-amino-4-ethenyl-
CID 13223992
Cyclohexanol, 2-amino-5-ethenyl-
CID 13223994
4-Amino-6-methylhept-1-en-3-ol
CID 14033271
4-Amino-5-cyclohexylpent-1-en-3-ol
CID 14478713
(3S,4R,5S)-5-amino-6-cyclohexylhex-1-ene-3,4-diol
CID 15042545
(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
CID 18642362
2-Amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
CID 19736480
2-Amino-1-cyclohexyl-4-propan-2-ylhept-6-en-3-ol;hydrochloride
CID 19790992
2-Amino-1-cyclohexyl-4-sulfanylhept-6-en-3-ol
CID 20044156
2-Amino-1-cyclohexyl-4-sulfanylhept-6-en-3-ol;hydrochloride
CID 20044171

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The IUPAC name of (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol (CID 14478714) is (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The canonical SMILES for (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol is C=C[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The InChIKey is ZOEIDLHSPUJXOJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
(3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-5-cyclohexylpent-1-en-3-ol is sourced from PubChem (CID 14478714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).