[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol

C13H23NO — CID 79137923

IUPAC[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCCC1
InChIInChI=1S/C13H23NO/c14-10-13(8-4-5-9-13)12(15)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10,14H2
InChIKeyFZHAGUBJQPDBHT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.22
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol

[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol (PubChem CID 79137923) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol
PubChem CID79137923
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCCC1
InChIInChI=1S/C13H23NO/c14-10-13(8-4-5-9-13)12(15)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10,14H2
InChIKeyFZHAGUBJQPDBHT-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.22
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 [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol (CID 79137923) is [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol is NCC1(C(O)C2CC=CCC2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol?
The InChIKey is FZHAGUBJQPDBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-10-13(8-4-5-9-13)12(15)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10,14H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol?
[1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol has a molecular weight of 209.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 79137923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).