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

C14H25NO — CID 114620334

IUPAC[2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COC1C=CCCC1
InChIInChI=1S/C14H25NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h2,8,12-14H,1,3-7,9-11,15H2
InChIKeyPCFZXKFZFATHJL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.88
Rot. Bonds4

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

[2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine (PubChem CID 114620334) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine
PubChem CID114620334
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COC1C=CCCC1
InChIInChI=1S/C14H25NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h2,8,12-14H,1,3-7,9-11,15H2
InChIKeyPCFZXKFZFATHJL-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine?
The IUPAC name of [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine (CID 114620334) is [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine is NCC1CCCCC1COC1C=CCCC1.
What is the InChIKey of [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine?
The InChIKey is PCFZXKFZFATHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h2,8,12-14H,1,3-7,9-11,15H2.
What are the key properties of [2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine?
[2-(cyclohex-2-en-1-yloxymethyl)cyclohexyl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.88, 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)cyclohexyl]methanamine is sourced from PubChem (CID 114620334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).