6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine

C12H18ClN3 — CID 90735208

IUPAC6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine
SMILESCN(C)C1(CCNc2ccc(Cl)nc2)CC1
InChIInChI=1S/C12H18ClN3/c1-16(2)12(5-6-12)7-8-14-10-3-4-11(13)15-9-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeyBWLHDRAXXUCMDY-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds5

About 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine

6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine (PubChem CID 90735208) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine
PubChem CID90735208
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine
SMILESCN(C)C1(CCNc2ccc(Cl)nc2)CC1
InChIInChI=1S/C12H18ClN3/c1-16(2)12(5-6-12)7-8-14-10-3-4-11(13)15-9-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeyBWLHDRAXXUCMDY-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-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

2-Chloro-3-pyridylamine
CID 80528
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
5-Amino-2-chloropyridine
CID 79305
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
3-Amino-2-chloro-4-methylpyridine
CID 2756387
(1R,5S)-6-(6-chloro-5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 9813282
(1S,6R)-3-(6-chloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9834452
(1S,5R)-6-(6-chloro-5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 9855966
(1R,6S)-8-(6-chloro-pyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 9899354

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine (CID 90735208) is 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine is CN(C)C1(CCNc2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine?
The InChIKey is BWLHDRAXXUCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16(2)12(5-6-12)7-8-14-10-3-4-11(13)15-9-10/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine?
6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine is sourced from PubChem (CID 90735208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).