N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine

C13H23N — CID 15063987

IUPACN-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine
SMILESC=CCN(CC(C)C)C1=CCCCC1
InChIInChI=1S/C13H23N/c1-4-10-14(11-12(2)3)13-8-6-5-7-9-13/h4,8,12H,1,5-7,9-11H2,2-3H3
InChIKeyYABUHJLLJGRRNG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds5

About N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine

N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine (PubChem CID 15063987) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine
PubChem CID15063987
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine
SMILESC=CCN(CC(C)C)C1=CCCCC1
InChIInChI=1S/C13H23N/c1-4-10-14(11-12(2)3)13-8-6-5-7-9-13/h4,8,12H,1,5-7,9-11H2,2-3H3
InChIKeyYABUHJLLJGRRNG-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine 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 N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine (CID 15063987) is N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine is C=CCN(CC(C)C)C1=CCCCC1.
What is the InChIKey of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?
The InChIKey is YABUHJLLJGRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-10-14(11-12(2)3)13-8-6-5-7-9-13/h4,8,12H,1,5-7,9-11H2,2-3H3.
What are the key properties of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?
N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine is sourced from PubChem (CID 15063987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).