5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine

C13H23N3 — CID 80632913

IUPAC5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C13H23N3/c1-5-12(14)8-11-6-7-13(15-9-11)16(4)10(2)3/h6-7,9-10,12H,5,8,14H2,1-4H3
InChIKeyZUJSEZZXSORLON-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.21
Rot. Bonds5

About 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine

5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 80632913) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID80632913
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C13H23N3/c1-5-12(14)8-11-6-7-13(15-9-11)16(4)10(2)3/h6-7,9-10,12H,5,8,14H2,1-4H3
InChIKeyZUJSEZZXSORLON-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine (CID 80632913) is 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine is CCC(N)Cc1ccc(N(C)C(C)C)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is ZUJSEZZXSORLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(14)8-11-6-7-13(15-9-11)16(4)10(2)3/h6-7,9-10,12H,5,8,14H2,1-4H3.
What are the key properties of 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 80632913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).