5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine

C14H25N3 — CID 66281281

IUPAC5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C14H25N3/c1-10(2)6-5-7-12(4)17-14-13(15)8-11(3)9-16-14/h8-10,12H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyMRLUEPOLBQIOBO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.60
Rot. Bonds6

About 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine

5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine (PubChem CID 66281281) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
PubChem CID66281281
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C14H25N3/c1-10(2)6-5-7-12(4)17-14-13(15)8-11(3)9-16-14/h8-10,12H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyMRLUEPOLBQIOBO-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine (CID 66281281) is 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine is Cc1cnc(NC(C)CCCC(C)C)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine?
The InChIKey is MRLUEPOLBQIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)6-5-7-12(4)17-14-13(15)8-11(3)9-16-14/h8-10,12H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine?
5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 66281281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).