N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine

C18H22N2 — CID 116545369

IUPACN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3
InChIKeyLKNMVTJBUCCOFX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 116545369) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID116545369
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3
InChIKeyLKNMVTJBUCCOFX-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine 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-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 116545369) is N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine is CCCc1cccc(-c2cncc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LKNMVTJBUCCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3.
What are the key properties of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 266.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 116545369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).