5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine

C18H25N3 — CID 80630089

IUPAC5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(CC)c2ccc(C)cc2)nc1
InChIInChI=1S/C18H25N3/c1-4-16(19)12-15-8-11-18(20-13-15)21(5-2)17-9-6-14(3)7-10-17/h6-11,13,16H,4-5,12,19H2,1-3H3
InChIKeyHGKMBYDBGGPIJE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.83
Rot. Bonds6

About 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine

5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine (PubChem CID 80630089) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
PubChem CID80630089
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(CC)c2ccc(C)cc2)nc1
InChIInChI=1S/C18H25N3/c1-4-16(19)12-15-8-11-18(20-13-15)21(5-2)17-9-6-14(3)7-10-17/h6-11,13,16H,4-5,12,19H2,1-3H3
InChIKeyHGKMBYDBGGPIJE-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine (CID 80630089) is 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine is CCC(N)Cc1ccc(N(CC)c2ccc(C)cc2)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine?
The InChIKey is HGKMBYDBGGPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-16(19)12-15-8-11-18(20-13-15)21(5-2)17-9-6-14(3)7-10-17/h6-11,13,16H,4-5,12,19H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine?
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 80630089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).