6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine

C14H21ClN2 — CID 114049361

IUPAC6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC1CC(C)(C)CC1C
InChIInChI=1S/C14H21ClN2/c1-9-7-14(3,4)8-12(9)17-11-5-6-13(15)16-10(11)2/h5-6,9,12,17H,7-8H2,1-4H3
InChIKeyVVSFTWODSQYHFE-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.28
Rot. Bonds2

About 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine

6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine (PubChem CID 114049361) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine
PubChem CID114049361
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC1CC(C)(C)CC1C
InChIInChI=1S/C14H21ClN2/c1-9-7-14(3,4)8-12(9)17-11-5-6-13(15)16-10(11)2/h5-6,9,12,17H,7-8H2,1-4H3
InChIKeyVVSFTWODSQYHFE-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.28
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-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
CID 106662703
6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine
CID 107272240
2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661766
3-chloro-4-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 114003389
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
5-bromo-2,4-difluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662857
2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661522
2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine
CID 81320891
methyl 5-fluoro-2-[(2,4,4-trimethylcyclopentyl)amino]benzoate
CID 106662137
2-(difluoromethylsulfanyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661548
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine (CID 114049361) is 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine is Cc1nc(Cl)ccc1NC1CC(C)(C)CC1C.
What is the InChIKey of 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine?
The InChIKey is VVSFTWODSQYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-7-14(3,4)8-12(9)17-11-5-6-13(15)16-10(11)2/h5-6,9,12,17H,7-8H2,1-4H3.
What are the key properties of 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine?
6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine is sourced from PubChem (CID 114049361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).