4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine

C14H25N — CID 71146170

IUPAC4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine
SMILESCC1CCC(CC2C=CC(N)CC2)CC1
InChIInChI=1S/C14H25N/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13/h6,8,11-14H,2-5,7,9-10,15H2,1H3
InChIKeyIQNZFOMTIYHPNF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.50
Rot. Bonds2

About 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine

4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine (PubChem CID 71146170) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine
PubChem CID71146170
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine
SMILESCC1CCC(CC2C=CC(N)CC2)CC1
InChIInChI=1S/C14H25N/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13/h6,8,11-14H,2-5,7,9-10,15H2,1H3
InChIKeyIQNZFOMTIYHPNF-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine (CID 71146170) is 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine is CC1CCC(CC2C=CC(N)CC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine?
The InChIKey is IQNZFOMTIYHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13/h6,8,11-14H,2-5,7,9-10,15H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine?
4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 71146170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).