5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine

C15H27N3 — CID 80629812

IUPAC5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CN)cc1C
InChIInChI=1S/C15H27N3/c1-4-6-8-18(9-7-5-2)15-13(3)10-14(11-16)12-17-15/h10,12H,4-9,11,16H2,1-3H3
InChIKeyPWRKWNAJCIAQHE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds8

About 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine

5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine (PubChem CID 80629812) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
PubChem CID80629812
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CN)cc1C
InChIInChI=1S/C15H27N3/c1-4-6-8-18(9-7-5-2)15-13(3)10-14(11-16)12-17-15/h10,12H,4-9,11,16H2,1-3H3
InChIKeyPWRKWNAJCIAQHE-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine (CID 80629812) is 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine is CCCCN(CCCC)c1ncc(CN)cc1C.
What is the InChIKey of 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The InChIKey is PWRKWNAJCIAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-8-18(9-7-5-2)15-13(3)10-14(11-16)12-17-15/h10,12H,4-9,11,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine?
5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine is sourced from PubChem (CID 80629812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).