[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine

C14H22ClN3 — CID 107055676

IUPAC[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2nccc(CN)c2Cl)C1
InChIInChI=1S/C14H22ClN3/c1-3-14(4-2)6-8-18(10-14)13-12(15)11(9-16)5-7-17-13/h5,7H,3-4,6,8-10,16H2,1-2H3
InChIKeyKFZGRRRBWDRTMG-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.21
Rot. Bonds4

About [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine

[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 107055676) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine
PubChem CID107055676
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2nccc(CN)c2Cl)C1
InChIInChI=1S/C14H22ClN3/c1-3-14(4-2)6-8-18(10-14)13-12(15)11(9-16)5-7-17-13/h5,7H,3-4,6,8-10,16H2,1-2H3
InChIKeyKFZGRRRBWDRTMG-UHFFFAOYSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine 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

[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 107055512
[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine
CID 80509117
[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 107055229
1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
CID 107055177
[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 107055393
3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63159282
[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81247679
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043901
[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389976
[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63603429
[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 63156183
[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928758

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine (CID 107055676) is [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine is CCC1(CC)CCN(c2nccc(CN)c2Cl)C1.
What is the InChIKey of [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is KFZGRRRBWDRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-14(4-2)6-8-18(10-14)13-12(15)11(9-16)5-7-17-13/h5,7H,3-4,6,8-10,16H2,1-2H3.
What are the key properties of [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).