[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine

C13H23NO — CID 114620335

IUPAC[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-9-11-5-4-6-12(11)10-15-13-7-2-1-3-8-13/h2,7,11-13H,1,3-6,8-10,14H2
InChIKeyQMIVSBJQXNDTCN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.49
Rot. Bonds4

About [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine

[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine (PubChem CID 114620335) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine
PubChem CID114620335
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-9-11-5-4-6-12(11)10-15-13-7-2-1-3-8-13/h2,7,11-13H,1,3-6,8-10,14H2
InChIKeyQMIVSBJQXNDTCN-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-yloxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine (CID 114620335) is [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine is NCC1CCCC1COC1C=CCCC1.
What is the InChIKey of [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine?
The InChIKey is QMIVSBJQXNDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-9-11-5-4-6-12(11)10-15-13-7-2-1-3-8-13/h2,7,11-13H,1,3-6,8-10,14H2.
What are the key properties of [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine?
[2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohex-2-en-1-yloxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 114620335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).