N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine

C9H16N2 — CID 166686708

IUPACN-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1C=CN=CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9-3-5-10-6-4-9/h3,5-6,8-9,11H,4,7H2,1-2H3
InChIKeyOFIATAPUBJYEQE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.59
Rot. Bonds3

About N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine

N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine (PubChem CID 166686708) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine
PubChem CID166686708
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1C=CN=CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9-3-5-10-6-4-9/h3,5-6,8-9,11H,4,7H2,1-2H3
InChIKeyOFIATAPUBJYEQE-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydropyridin-4-ylmethyl)propan-2-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-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine (CID 166686708) is N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine is CC(C)NCC1C=CN=CC1.
What is the InChIKey of N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine?
The InChIKey is OFIATAPUBJYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-7-9-3-5-10-6-4-9/h3,5-6,8-9,11H,4,7H2,1-2H3.
What are the key properties of N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine?
N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 166686708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).