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

C12H21N — CID 15063988

IUPACN-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine
SMILESC=CCN(CC(C)C)C1=CCCC1
InChIInChI=1S/C12H21N/c1-4-9-13(10-11(2)3)12-7-5-6-8-12/h4,7,11H,1,5-6,8-10H2,2-3H3
InChIKeyJFDIECKNFJJXMV-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.20
Rot. Bonds5

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

N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine (PubChem CID 15063988) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine
PubChem CID15063988
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine
SMILESC=CCN(CC(C)C)C1=CCCC1
InChIInChI=1S/C12H21N/c1-4-9-13(10-11(2)3)12-7-5-6-8-12/h4,7,11H,1,5-6,8-10H2,2-3H3
InChIKeyJFDIECKNFJJXMV-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.20
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-enylcyclopenten-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-enylcyclopenten-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine (CID 15063988) is N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine is C=CCN(CC(C)C)C1=CCCC1.
What is the InChIKey of N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine?
The InChIKey is JFDIECKNFJJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-9-13(10-11(2)3)12-7-5-6-8-12/h4,7,11H,1,5-6,8-10H2,2-3H3.
What are the key properties of N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine?
N-(2-methylpropyl)-N-prop-2-enylcyclopenten-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.20, 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-enylcyclopenten-1-amine is sourced from PubChem (CID 15063988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).