N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine

C14H22ClN3 — CID 55054651

IUPACN-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(N2CCCC2)ccc1Cl
InChIInChI=1S/C14H22ClN3/c1-11(2)9-16-10-13-12(15)5-6-14(17-13)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyRKPMJZJPBXFPPR-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 55054651) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID55054651
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(N2CCCC2)ccc1Cl
InChIInChI=1S/C14H22ClN3/c1-11(2)9-16-10-13-12(15)5-6-14(17-13)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyRKPMJZJPBXFPPR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)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

Related Compounds

N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412626
N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285541
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295326
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
N-[[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63004009
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 79164517
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine (CID 55054651) is N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(N2CCCC2)ccc1Cl.
What is the InChIKey of N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is RKPMJZJPBXFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11(2)9-16-10-13-12(15)5-6-14(17-13)18-7-3-4-8-18/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).