2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

C12H24N2 — CID 62556941

IUPAC2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C)CC1
InChIInChI=1S/C12H24N2/c1-4-7-13-10-12(3)14-8-5-11(2)6-9-14/h4,11-13H,1,5-10H2,2-3H3
InChIKeyFHNGFYLBXLNELI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62556941) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62556941
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C)CC1
InChIInChI=1S/C12H24N2/c1-4-7-13-10-12(3)14-8-5-11(2)6-9-14/h4,11-13H,1,5-10H2,2-3H3
InChIKeyFHNGFYLBXLNELI-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-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 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62556941) is 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is FHNGFYLBXLNELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-7-13-10-12(3)14-8-5-11(2)6-9-14/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62556941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).