N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine

C15H27N3 — CID 43125913

IUPACN,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1cccnc1
InChIInChI=1S/C15H27N3/c1-3-5-10-18(11-6-4-2)15(12-16)14-8-7-9-17-13-14/h7-9,13,15H,3-6,10-12,16H2,1-2H3
InChIKeyKUJVXFOBDGGLAA-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds9

About N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine

N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 43125913) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
PubChem CID43125913
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1cccnc1
InChIInChI=1S/C15H27N3/c1-3-5-10-18(11-6-4-2)15(12-16)14-8-7-9-17-13-14/h7-9,13,15H,3-6,10-12,16H2,1-2H3
InChIKeyKUJVXFOBDGGLAA-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
CID 106914569

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine (CID 43125913) is N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine is CCCCN(CCCC)C(CN)c1cccnc1.
What is the InChIKey of N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is KUJVXFOBDGGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-5-10-18(11-6-4-2)15(12-16)14-8-7-9-17-13-14/h7-9,13,15H,3-6,10-12,16H2,1-2H3.
What are the key properties of N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine?
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 43125913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).