2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine

C13H19ClN2 — CID 102824270

IUPAC2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
SMILESCC1CCCCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-3-2-4-6-12(10)16-11-7-8-15-13(14)9-11/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyXXTCEOZCCCXSOY-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine

2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine (PubChem CID 102824270) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
PubChem CID102824270
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
SMILESCC1CCCCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-3-2-4-6-12(10)16-11-7-8-15-13(14)9-11/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyXXTCEOZCCCXSOY-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
CID 164655530
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine
CID 129366087
6-chloro-N-[(1R,2R)-2-methylcyclohexyl]pyrimidin-4-amine
CID 129366089
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
N-(2-methylcyclohexyl)-3-methylsulfanylaniline
CID 43105027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine (CID 102824270) is 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine is CC1CCCCCC1Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine?
The InChIKey is XXTCEOZCCCXSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-3-2-4-6-12(10)16-11-7-8-15-13(14)9-11/h7-10,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine?
2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine is sourced from PubChem (CID 102824270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).