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

C13H21N3 — CID 114543290

IUPAC2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC1CCC(C)(C)C1
InChIInChI=1S/C13H21N3/c1-9-6-10(14)8-15-12(9)16-11-4-5-13(2,3)7-11/h6,8,11H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyUJJYUSDUECYFGB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

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

2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine (PubChem CID 114543290) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
PubChem CID114543290
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC1CCC(C)(C)C1
InChIInChI=1S/C13H21N3/c1-9-6-10(14)8-15-12(9)16-11-4-5-13(2,3)7-11/h6,8,11H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyUJJYUSDUECYFGB-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

3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine
CID 79352829
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265260
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
2-cyclopropyl-4-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 114542185
2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine
CID 114543416

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine (CID 114543290) is 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NC1CCC(C)(C)C1.
What is the InChIKey of 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine?
The InChIKey is UJJYUSDUECYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-6-10(14)8-15-12(9)16-11-4-5-13(2,3)7-11/h6,8,11H,4-5,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine?
2-N-(3,3-dimethylcyclopentyl)-3-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)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 114543290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).