N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

C14H23N3 — CID 62580182

IUPACN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12(2)16-10-14-6-4-8-17(14)11-13-5-3-7-15-9-13/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3
InChIKeyQSNPXWBOJRWLHU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62580182) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62580182
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12(2)16-10-14-6-4-8-17(14)11-13-5-3-7-15-9-13/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3
InChIKeyQSNPXWBOJRWLHU-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]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

Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
CID 63848353
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62580182) is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1Cc1cccnc1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is QSNPXWBOJRWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(2)16-10-14-6-4-8-17(14)11-13-5-3-7-15-9-13/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).