2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol

C13H23NO — CID 60713815

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCCC1=CCCCC1
InChIInChI=1S/C13H23NO/c15-13-8-4-7-12(13)14-10-9-11-5-2-1-3-6-11/h5,12-15H,1-4,6-10H2
InChIKeyWGJCCUQAHQPWQW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol

2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol (PubChem CID 60713815) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
PubChem CID60713815
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCCC1=CCCCC1
InChIInChI=1S/C13H23NO/c15-13-8-4-7-12(13)14-10-9-11-5-2-1-3-6-11/h5,12-15H,1-4,6-10H2
InChIKeyWGJCCUQAHQPWQW-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106169922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol (CID 60713815) is 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol is OC1CCCC1NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is WGJCCUQAHQPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-8-4-7-12(13)14-10-9-11-5-2-1-3-6-11/h5,12-15H,1-4,6-10H2.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol?
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 60713815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).