N-butyl-1-ethenylcyclohexan-1-amine

C12H23N — CID 14119918

IUPACN-butyl-1-ethenylcyclohexan-1-amine
SMILESC=CC1(NCCCC)CCCCC1
InChIInChI=1S/C12H23N/c1-3-5-11-13-12(4-2)9-7-6-8-10-12/h4,13H,2-3,5-11H2,1H3
InChIKeyBMEHRMOKXALXLV-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds5

About N-butyl-1-ethenylcyclohexan-1-amine

N-butyl-1-ethenylcyclohexan-1-amine (PubChem CID 14119918) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-butyl-1-ethenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-1-ethenylcyclohexan-1-amine
PubChem CID14119918
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-butyl-1-ethenylcyclohexan-1-amine
SMILESC=CC1(NCCCC)CCCCC1
InChIInChI=1S/C12H23N/c1-3-5-11-13-12(4-2)9-7-6-8-10-12/h4,13H,2-3,5-11H2,1H3
InChIKeyBMEHRMOKXALXLV-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethenylcyclohexan-1-amine?
The IUPAC name of N-butyl-1-ethenylcyclohexan-1-amine (CID 14119918) is N-butyl-1-ethenylcyclohexan-1-amine.
What is the SMILES notation for N-butyl-1-ethenylcyclohexan-1-amine?
The canonical SMILES for N-butyl-1-ethenylcyclohexan-1-amine is C=CC1(NCCCC)CCCCC1.
What is the InChIKey of N-butyl-1-ethenylcyclohexan-1-amine?
The InChIKey is BMEHRMOKXALXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-11-13-12(4-2)9-7-6-8-10-12/h4,13H,2-3,5-11H2,1H3.
What are the key properties of N-butyl-1-ethenylcyclohexan-1-amine?
N-butyl-1-ethenylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethenylcyclohexan-1-amine is sourced from PubChem (CID 14119918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).