3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine

C14H23N3 — CID 104535085

IUPAC3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CCCCCC2C)c1
InChIInChI=1S/C14H23N3/c1-11-6-4-3-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h8-11,14-15,17H,3-7H2,1-2H3
InChIKeyQAMYDWWENUHVFV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds3

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

3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine (PubChem CID 104535085) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
PubChem CID104535085
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CCCCCC2C)c1
InChIInChI=1S/C14H23N3/c1-11-6-4-3-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h8-11,14-15,17H,3-7H2,1-2H3
InChIKeyQAMYDWWENUHVFV-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine (CID 104535085) is 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine is CNc1cncc(NC2CCCCCC2C)c1.
What is the InChIKey of 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
The InChIKey is QAMYDWWENUHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-4-3-5-7-14(11)17-13-8-12(15-2)9-16-10-13/h8-11,14-15,17H,3-7H2,1-2H3.
What are the key properties of 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine is sourced from PubChem (CID 104535085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).