2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine

C13H21N3 — CID 81132071

IUPAC2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-7-8-12(14)13(16-10)15-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyGCQSTKSVTUIGLD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine

2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine (PubChem CID 81132071) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine
PubChem CID81132071
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-7-8-12(14)13(16-10)15-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyGCQSTKSVTUIGLD-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 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine (CID 81132071) is 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(NCC2CCCCC2)n1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine?
The InChIKey is GCQSTKSVTUIGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-8-12(14)13(16-10)15-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine?
2-N-(cyclohexylmethyl)-6-methylpyridine-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 2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81132071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).