6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine

C13H21N3 — CID 81131753

IUPAC6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2(C)CCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-5-6-11(14)12(16-10)15-9-13(2)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyKAJZNRLCLQOCEB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine

6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine (PubChem CID 81131753) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine
PubChem CID81131753
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2(C)CCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-5-6-11(14)12(16-10)15-9-13(2)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyKAJZNRLCLQOCEB-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine (CID 81131753) is 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCC2(C)CCCC2)n1.
What is the InChIKey of 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine?
The InChIKey is KAJZNRLCLQOCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-6-11(14)12(16-10)15-9-13(2)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine?
6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 81131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).