N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine

C14H19N3 — CID 66411498

IUPACN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCn1cccc1CNCc1cccnc1
InChIInChI=1S/C14H19N3/c1-2-8-17-9-4-6-14(17)12-16-11-13-5-3-7-15-10-13/h3-7,9-10,16H,2,8,11-12H2,1H3
InChIKeyXGOKUNFJTJZGFV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.58
Rot. Bonds6

About N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 66411498) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID66411498
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCn1cccc1CNCc1cccnc1
InChIInChI=1S/C14H19N3/c1-2-8-17-9-4-6-14(17)12-16-11-13-5-3-7-15-10-13/h3-7,9-10,16H,2,8,11-12H2,1H3
InChIKeyXGOKUNFJTJZGFV-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413347

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine (CID 66411498) is N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine is CCCn1cccc1CNCc1cccnc1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is XGOKUNFJTJZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-8-17-9-4-6-14(17)12-16-11-13-5-3-7-15-10-13/h3-7,9-10,16H,2,8,11-12H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 66411498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).