2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol

C20H37NO2 — CID 70116464

IUPAC2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC(O)/C=C/C1CCC(O)C1CCCCCC=CN
InChIInChI=1S/C20H37NO2/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h9,12,14,16-20,22-23H,2-8,10-11,13,15,21H2,1H3/b14-12+,16-9?
InChIKeyITAZVCLINYPMQU-GOBJVYKHSA-N
MW323.52 g/mol
LogP4.29
Rot. Bonds12

About 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol

2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol (PubChem CID 70116464) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
PubChem CID70116464
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC(O)/C=C/C1CCC(O)C1CCCCCC=CN
InChIInChI=1S/C20H37NO2/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h9,12,14,16-20,22-23H,2-8,10-11,13,15,21H2,1H3/b14-12+,16-9?
InChIKeyITAZVCLINYPMQU-GOBJVYKHSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-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

(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
CID 70547983
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
CID 154004373
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
8-[2-hydroxy-5-[(E)-3-hydroxynon-1-enyl]cyclopentyl]oct-6-ynoic acid
CID 21403608
(2R,3R,4S)-4-hydroxy-3-(7-hydroxyheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 35021085
henicos-7-en-6-ol
CID 91409967
icosa-7,15-diene-6,9-diol
CID 57175111
2-nonylcyclopentane-1,3-diol
CID 163304158
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
(E,8S)-8-hydroxy-10-[(1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116223

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The IUPAC name of 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol (CID 70116464) is 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol.
What is the SMILES notation for 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The canonical SMILES for 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol is CCCCCC(O)/C=C/C1CCC(O)C1CCCCCC=CN.
What is the InChIKey of 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The InChIKey is ITAZVCLINYPMQU-GOBJVYKHSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h9,12,14,16-20,22-23H,2-8,10-11,13,15,21H2,1H3/b14-12+,16-9?.
What are the key properties of 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol has a molecular weight of 323.52 g/mol, XLogP of 4.29, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 70116464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).