6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine

C13H19ClN2 — CID 106662703

IUPAC6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
SMILESCC1CC(C)(C)CC1Nc1cccc(Cl)n1
InChIInChI=1S/C13H19ClN2/c1-9-7-13(2,3)8-10(9)15-12-6-4-5-11(14)16-12/h4-6,9-10H,7-8H2,1-3H3,(H,15,16)
InChIKeySXPJSUMIZWDTLU-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.97
Rot. Bonds2

About 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine

6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine (PubChem CID 106662703) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
PubChem CID106662703
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
SMILESCC1CC(C)(C)CC1Nc1cccc(Cl)n1
InChIInChI=1S/C13H19ClN2/c1-9-7-13(2,3)8-10(9)15-12-6-4-5-11(14)16-12/h4-6,9-10H,7-8H2,1-3H3,(H,15,16)
InChIKeySXPJSUMIZWDTLU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine
CID 114049361
trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 131025929
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131160215
6-chloro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 63586356
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841267
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662283
2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661522
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine (CID 106662703) is 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine is CC1CC(C)(C)CC1Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine?
The InChIKey is SXPJSUMIZWDTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-7-13(2,3)8-10(9)15-12-6-4-5-11(14)16-12/h4-6,9-10H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine?
6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine is sourced from PubChem (CID 106662703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).