3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine

C13H23N3 — CID 104534461

IUPAC3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCCC(C)C)c1
InChIInChI=1S/C13H23N3/c1-4-15-12-8-13(10-14-9-12)16-7-5-6-11(2)3/h8-11,15-16H,4-7H2,1-3H3
InChIKeyQRJVHKPPBKZWPK-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.36
Rot. Bonds7

About 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine (PubChem CID 104534461) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
PubChem CID104534461
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCCC(C)C)c1
InChIInChI=1S/C13H23N3/c1-4-15-12-8-13(10-14-9-12)16-7-5-6-11(2)3/h8-11,15-16H,4-7H2,1-3H3
InChIKeyQRJVHKPPBKZWPK-UHFFFAOYSA-N
XLogP3.36
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595
5-fluoro-N-(3-methylbutyl)pyridin-3-amine
CID 126972918
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
CID 106296062
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine (CID 104534461) is 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine is CCNc1cncc(NCCCC(C)C)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine?
The InChIKey is QRJVHKPPBKZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-15-12-8-13(10-14-9-12)16-7-5-6-11(2)3/h8-11,15-16H,4-7H2,1-3H3.
What are the key properties of 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine is sourced from PubChem (CID 104534461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).