5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine

C15H25N3 — CID 146589382

IUPAC5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCN(CC(C)CC(C)C)c1ccc(N)nc1
InChIInChI=1S/C15H25N3/c1-5-8-18(11-13(4)9-12(2)3)14-6-7-15(16)17-10-14/h5-7,10,12-13H,1,8-9,11H2,2-4H3,(H2,16,17)
InChIKeyWJCZZNXYPIGQSS-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.34
Rot. Bonds7

About 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine

5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine (PubChem CID 146589382) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine
PubChem CID146589382
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCN(CC(C)CC(C)C)c1ccc(N)nc1
InChIInChI=1S/C15H25N3/c1-5-8-18(11-13(4)9-12(2)3)14-6-7-15(16)17-10-14/h5-7,10,12-13H,1,8-9,11H2,2-4H3,(H2,16,17)
InChIKeyWJCZZNXYPIGQSS-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine?
The IUPAC name of 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine (CID 146589382) is 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine is C=CCN(CC(C)CC(C)C)c1ccc(N)nc1.
What is the InChIKey of 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine?
The InChIKey is WJCZZNXYPIGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-8-18(11-13(4)9-12(2)3)14-6-7-15(16)17-10-14/h5-7,10,12-13H,1,8-9,11H2,2-4H3,(H2,16,17).
What are the key properties of 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine?
5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethylpentyl)-5-N-prop-2-enylpyridine-2,5-diamine is sourced from PubChem (CID 146589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).