2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine

C12H19N3 — CID 114541918

IUPAC2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine
SMILESCNc1cc(NC2CCC(C)C2)ccn1
InChIInChI=1S/C12H19N3/c1-9-3-4-10(7-9)15-11-5-6-14-12(8-11)13-2/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeyYPYHBQYTLYZBDS-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.72
Rot. Bonds3

About 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine

2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine (PubChem CID 114541918) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine
PubChem CID114541918
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine
SMILESCNc1cc(NC2CCC(C)C2)ccn1
InChIInChI=1S/C12H19N3/c1-9-3-4-10(7-9)15-11-5-6-14-12(8-11)13-2/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeyYPYHBQYTLYZBDS-UHFFFAOYSA-N
XLogP2.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
CID 114541916
2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
CID 114543200
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
CID 114542004
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97357973
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
N-[(1S,3R)-3-methylcyclopentyl]-3-methylsulfanylaniline
CID 95376135
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
N-(3-methylcyclopentyl)-1H-indazol-6-amine
CID 64501097
2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine
CID 65484918
2-methyl-N-(3-methylcyclopentyl)pyrazol-3-amine
CID 115702874

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine (CID 114541918) is 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine is CNc1cc(NC2CCC(C)C2)ccn1.
What is the InChIKey of 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The InChIKey is YPYHBQYTLYZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-3-4-10(7-9)15-11-5-6-14-12(8-11)13-2/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-methylcyclopentyl)pyridine-2,4-diamine is sourced from PubChem (CID 114541918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).