5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine

C15H25N3 — CID 104535325

IUPAC5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
SMILESCC(C)CCN(c1cncc(N)c1)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12(2)7-8-18(14-5-3-4-6-14)15-9-13(16)10-17-11-15/h9-12,14H,3-8,16H2,1-2H3
InChIKeyGVDLBYHWVMHQDM-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.46
Rot. Bonds5

About 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine

5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine (PubChem CID 104535325) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
PubChem CID104535325
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
SMILESCC(C)CCN(c1cncc(N)c1)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12(2)7-8-18(14-5-3-4-6-14)15-9-13(16)10-17-11-15/h9-12,14H,3-8,16H2,1-2H3
InChIKeyGVDLBYHWVMHQDM-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine (CID 104535325) is 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine is CC(C)CCN(c1cncc(N)c1)C1CCCC1.
What is the InChIKey of 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
The InChIKey is GVDLBYHWVMHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)7-8-18(14-5-3-4-6-14)15-9-13(16)10-17-11-15/h9-12,14H,3-8,16H2,1-2H3.
What are the key properties of 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine?
5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine is sourced from PubChem (CID 104535325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).