3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine

C19H33N3 — CID 155116919

IUPAC3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine
SMILESCCCCCc1ccc(NC(C)CC)c(NC2CCCC2)n1
InChIInChI=1S/C19H33N3/c1-4-6-7-10-17-13-14-18(20-15(3)5-2)19(22-17)21-16-11-8-9-12-16/h13-16,20H,4-12H2,1-3H3,(H,21,22)
InChIKeyWWHWXQLZUJCWFR-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.38
Rot. Bonds9

About 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine

3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine (PubChem CID 155116919) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine
PubChem CID155116919
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine
SMILESCCCCCc1ccc(NC(C)CC)c(NC2CCCC2)n1
InChIInChI=1S/C19H33N3/c1-4-6-7-10-17-13-14-18(20-15(3)5-2)19(22-17)21-16-11-8-9-12-16/h13-16,20H,4-12H2,1-3H3,(H,21,22)
InChIKeyWWHWXQLZUJCWFR-UHFFFAOYSA-N
XLogP5.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-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

3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 162371757
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
2,6-didodecylpyridine
CID 90943274
4-(cyclohexylamino)-2-pentylbenzoic acid
CID 175412341
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547
2,6-dipentylpyridine
CID 58097448
N-cyclopentyl-1-hexan-2-yl-4-methylimidazol-2-amine
CID 106569752
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 176962480
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676446

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine?
The IUPAC name of 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine (CID 155116919) is 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine is CCCCCc1ccc(NC(C)CC)c(NC2CCCC2)n1.
What is the InChIKey of 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine?
The InChIKey is WWHWXQLZUJCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-4-6-7-10-17-13-14-18(20-15(3)5-2)19(22-17)21-16-11-8-9-12-16/h13-16,20H,4-12H2,1-3H3,(H,21,22).
What are the key properties of 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine?
3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine has a molecular weight of 303.49 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine is sourced from PubChem (CID 155116919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).