2-(aminomethyl)-N,N-dibutylpyridin-4-amine

C14H25N3 — CID 62300849

IUPAC2-(aminomethyl)-N,N-dibutylpyridin-4-amine
SMILESCCCCN(CCCC)c1ccnc(CN)c1
InChIInChI=1S/C14H25N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10,12,15H2,1-2H3
InChIKeyNFYZAOMYLDTRDG-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.95
Rot. Bonds8

About 2-(aminomethyl)-N,N-dibutylpyridin-4-amine

2-(aminomethyl)-N,N-dibutylpyridin-4-amine (PubChem CID 62300849) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dibutylpyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dibutylpyridin-4-amine
PubChem CID62300849
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-(aminomethyl)-N,N-dibutylpyridin-4-amine
SMILESCCCCN(CCCC)c1ccnc(CN)c1
InChIInChI=1S/C14H25N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10,12,15H2,1-2H3
InChIKeyNFYZAOMYLDTRDG-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dibutylpyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N,N-dibutylpyridin-4-amine (CID 62300849) is 2-(aminomethyl)-N,N-dibutylpyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-dibutylpyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-dibutylpyridin-4-amine is CCCCN(CCCC)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-dibutylpyridin-4-amine?
The InChIKey is NFYZAOMYLDTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10,12,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dibutylpyridin-4-amine?
2-(aminomethyl)-N,N-dibutylpyridin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dibutylpyridin-4-amine is sourced from PubChem (CID 62300849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).