[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol

C12H21NO — CID 106360957

IUPAC[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NC1C=CCCC1
InChIInChI=1S/C12H21NO/c14-9-10-5-4-8-12(10)13-11-6-2-1-3-7-11/h2,6,10-14H,1,3-5,7-9H2
InChIKeyQCNHDRGZZOIVII-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds3

About [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol

[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol (PubChem CID 106360957) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol
PubChem CID106360957
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NC1C=CCCC1
InChIInChI=1S/C12H21NO/c14-9-10-5-4-8-12(10)13-11-6-2-1-3-7-11/h2,6,10-14H,1,3-5,7-9H2
InChIKeyQCNHDRGZZOIVII-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol (CID 106360957) is [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol is OCC1CCCC1NC1C=CCCC1.
What is the InChIKey of [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol?
The InChIKey is QCNHDRGZZOIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-9-10-5-4-8-12(10)13-11-6-2-1-3-7-11/h2,6,10-14H,1,3-5,7-9H2.
What are the key properties of [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol?
[2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohex-2-en-1-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 106360957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).