2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine

C13H21N3 — CID 114543416

IUPAC2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NC2CCC(C)(C)C2)ccc1N
InChIInChI=1S/C13H21N3/c1-9-11(14)4-5-12(15-9)16-10-6-7-13(2,3)8-10/h4-5,10H,6-8,14H2,1-3H3,(H,15,16)
InChIKeyMTGPCNYJJGFZSN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

About 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine

2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine (PubChem CID 114543416) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine
PubChem CID114543416
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NC2CCC(C)(C)C2)ccc1N
InChIInChI=1S/C13H21N3/c1-9-11(14)4-5-12(15-9)16-10-6-7-13(2,3)8-10/h4-5,10H,6-8,14H2,1-3H3,(H,15,16)
InChIKeyMTGPCNYJJGFZSN-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
CID 114541691
3-N-(3,3-dimethylcyclopentyl)pyridazine-3,6-diamine
CID 114541692
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
2-[(3,3-dimethylcyclopentyl)amino]quinoline-4-carbothioamide
CID 114546697
4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114542196
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265260
5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365630
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine (CID 114543416) is 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine is Cc1nc(NC2CCC(C)(C)C2)ccc1N.
What is the InChIKey of 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine?
The InChIKey is MTGPCNYJJGFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-11(14)4-5-12(15-9)16-10-6-7-13(2,3)8-10/h4-5,10H,6-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine?
2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 114543416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).