4-chloro-N-cyclooctylpyridin-3-amine

C13H19ClN2 — CID 83166915

IUPAC4-chloro-N-cyclooctylpyridin-3-amine
SMILESClc1ccncc1NC1CCCCCCC1
InChIInChI=1S/C13H19ClN2/c14-12-8-9-15-10-13(12)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2
InChIKeyUCXAJXSPXWOEKE-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.26
Rot. Bonds2

About 4-chloro-N-cyclooctylpyridin-3-amine

4-chloro-N-cyclooctylpyridin-3-amine (PubChem CID 83166915) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-N-cyclooctylpyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-cyclooctylpyridin-3-amine
PubChem CID83166915
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-N-cyclooctylpyridin-3-amine
SMILESClc1ccncc1NC1CCCCCCC1
InChIInChI=1S/C13H19ClN2/c14-12-8-9-15-10-13(12)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2
InChIKeyUCXAJXSPXWOEKE-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-cyclooctylpyridin-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
5-Amino-2-chloropyridine
CID 79305
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
1-(Pyridin-3-yl)-1,5-diazocane
CID 11499356
NS-3956 free base
CID 11701287
3-(6-Chloro-3-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 53706656
2-Chloropyridine-3,4-diamine
CID 285736
(5-Chloropyridin-2-yl)methanamine
CID 21069929
4,6-Dichloropyridin-3-amine
CID 595729
6-Chloropyridine-3,4-diamine
CID 817133
1-(5-Chloropyridin-3-yl)-1,5-diazocane
CID 11550362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclooctylpyridin-3-amine?
The IUPAC name of 4-chloro-N-cyclooctylpyridin-3-amine (CID 83166915) is 4-chloro-N-cyclooctylpyridin-3-amine.
What is the SMILES notation for 4-chloro-N-cyclooctylpyridin-3-amine?
The canonical SMILES for 4-chloro-N-cyclooctylpyridin-3-amine is Clc1ccncc1NC1CCCCCCC1.
What is the InChIKey of 4-chloro-N-cyclooctylpyridin-3-amine?
The InChIKey is UCXAJXSPXWOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-8-9-15-10-13(12)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2.
What are the key properties of 4-chloro-N-cyclooctylpyridin-3-amine?
4-chloro-N-cyclooctylpyridin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclooctylpyridin-3-amine is sourced from PubChem (CID 83166915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).