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

C13H23N3 — CID 66278018

IUPAC5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC(C)CCC(C)C)c(N)c1
InChIInChI=1S/C13H23N3/c1-9(2)5-6-11(4)16-13-12(14)7-10(3)8-15-13/h7-9,11H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyYPMSSYSJKBMNAT-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.21
Rot. Bonds5

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

5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine (PubChem CID 66278018) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
PubChem CID66278018
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC(C)CCC(C)C)c(N)c1
InChIInChI=1S/C13H23N3/c1-9(2)5-6-11(4)16-13-12(14)7-10(3)8-15-13/h7-9,11H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyYPMSSYSJKBMNAT-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.21
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-(5-methylhexan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine (CID 66278018) is 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine is Cc1cnc(NC(C)CCC(C)C)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine?
The InChIKey is YPMSSYSJKBMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)5-6-11(4)16-13-12(14)7-10(3)8-15-13/h7-9,11H,5-6,14H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine?
5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 66278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).