5-N-butan-2-ylpyridine-3,5-diamine

C9H15N3 — CID 104532548

IUPAC5-N-butan-2-ylpyridine-3,5-diamine
SMILESCCC(C)Nc1cncc(N)c1
InChIInChI=1S/C9H15N3/c1-3-7(2)12-9-4-8(10)5-11-6-9/h4-7,12H,3,10H2,1-2H3
InChIKeyNFCNMAYJQRSNFQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds3

About 5-N-butan-2-ylpyridine-3,5-diamine

5-N-butan-2-ylpyridine-3,5-diamine (PubChem CID 104532548) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-N-butan-2-ylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-ylpyridine-3,5-diamine
PubChem CID104532548
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-N-butan-2-ylpyridine-3,5-diamine
SMILESCCC(C)Nc1cncc(N)c1
InChIInChI=1S/C9H15N3/c1-3-7(2)12-9-4-8(10)5-11-6-9/h4-7,12H,3,10H2,1-2H3
InChIKeyNFCNMAYJQRSNFQ-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-butan-2-ylpyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
5-N-(1-ethoxypropan-2-yl)pyridine-3,5-diamine
CID 104533935
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
5-N-ethylpyridine-3,5-diamine
CID 104532571
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109225394
2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine
CID 93204113
5-N-decylpyridine-3,5-diamine
CID 104535317
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
N-(5-amino-3-pyridinyl)acetamide
CID 69179532

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-ylpyridine-3,5-diamine?
The IUPAC name of 5-N-butan-2-ylpyridine-3,5-diamine (CID 104532548) is 5-N-butan-2-ylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-butan-2-ylpyridine-3,5-diamine?
The canonical SMILES for 5-N-butan-2-ylpyridine-3,5-diamine is CCC(C)Nc1cncc(N)c1.
What is the InChIKey of 5-N-butan-2-ylpyridine-3,5-diamine?
The InChIKey is NFCNMAYJQRSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7(2)12-9-4-8(10)5-11-6-9/h4-7,12H,3,10H2,1-2H3.
What are the key properties of 5-N-butan-2-ylpyridine-3,5-diamine?
5-N-butan-2-ylpyridine-3,5-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-ylpyridine-3,5-diamine is sourced from PubChem (CID 104532548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).