2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine

C14H23N3 — CID 81131981

IUPAC2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)C2CCCCC2)n1
InChIInChI=1S/C14H23N3/c1-10-8-9-13(15)14(16-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCPDKVKPKSGLJBS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.35
Rot. Bonds3

About 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine

2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine (PubChem CID 81131981) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
PubChem CID81131981
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)C2CCCCC2)n1
InChIInChI=1S/C14H23N3/c1-10-8-9-13(15)14(16-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCPDKVKPKSGLJBS-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine (CID 81131981) is 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(NC(C)C2CCCCC2)n1.
What is the InChIKey of 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine?
The InChIKey is CPDKVKPKSGLJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-8-9-13(15)14(16-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine?
2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81131981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).