N,N-dibutyl-1,2-dihydropyridin-3-amine

C13H24N2 — CID 67933411

IUPACN,N-dibutyl-1,2-dihydropyridin-3-amine
SMILESCCCCN(CCCC)C1=CC=CNC1
InChIInChI=1S/C13H24N2/c1-3-5-10-15(11-6-4-2)13-8-7-9-14-12-13/h7-9,14H,3-6,10-12H2,1-2H3
InChIKeyTWKWKXUCFQJJHE-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.89
Rot. Bonds7

About N,N-dibutyl-1,2-dihydropyridin-3-amine

N,N-dibutyl-1,2-dihydropyridin-3-amine (PubChem CID 67933411) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N-dibutyl-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-1,2-dihydropyridin-3-amine
PubChem CID67933411
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N-dibutyl-1,2-dihydropyridin-3-amine
SMILESCCCCN(CCCC)C1=CC=CNC1
InChIInChI=1S/C13H24N2/c1-3-5-10-15(11-6-4-2)13-8-7-9-14-12-13/h7-9,14H,3-6,10-12H2,1-2H3
InChIKeyTWKWKXUCFQJJHE-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,2-dihydropyridin-3-amine?
The IUPAC name of N,N-dibutyl-1,2-dihydropyridin-3-amine (CID 67933411) is N,N-dibutyl-1,2-dihydropyridin-3-amine.
What is the SMILES notation for N,N-dibutyl-1,2-dihydropyridin-3-amine?
The canonical SMILES for N,N-dibutyl-1,2-dihydropyridin-3-amine is CCCCN(CCCC)C1=CC=CNC1.
What is the InChIKey of N,N-dibutyl-1,2-dihydropyridin-3-amine?
The InChIKey is TWKWKXUCFQJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-10-15(11-6-4-2)13-8-7-9-14-12-13/h7-9,14H,3-6,10-12H2,1-2H3.
What are the key properties of N,N-dibutyl-1,2-dihydropyridin-3-amine?
N,N-dibutyl-1,2-dihydropyridin-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 67933411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).