N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

C14H22ClN3 — CID 79841622

IUPACN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1c1ccncc1Cl
InChIInChI=1S/C14H22ClN3/c1-11(2)8-17-9-12-4-3-7-18(12)14-5-6-16-10-13(14)15/h5-6,10-12,17H,3-4,7-9H2,1-2H3
InChIKeyZBSSWUDWWZRGAG-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79841622) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID79841622
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1c1ccncc1Cl
InChIInChI=1S/C14H22ClN3/c1-11(2)8-17-9-12-4-3-7-18(12)14-5-6-16-10-13(14)15/h5-6,10-12,17H,3-4,7-9H2,1-2H3
InChIKeyZBSSWUDWWZRGAG-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-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 N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (CID 79841622) is N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN1c1ccncc1Cl.
What is the InChIKey of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZBSSWUDWWZRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11(2)8-17-9-12-4-3-7-18(12)14-5-6-16-10-13(14)15/h5-6,10-12,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79841622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).