5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C16H22N4 — CID 80634634

IUPAC5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)Cc2ccncc2)nc1
InChIInChI=1S/C16H22N4/c1-3-15(17)10-14-4-5-16(19-11-14)20(2)12-13-6-8-18-9-7-13/h4-9,11,15H,3,10,12,17H2,1-2H3
InChIKeyMUGINAHKAPOHAE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.39
Rot. Bonds6

About 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 80634634) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID80634634
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)Cc2ccncc2)nc1
InChIInChI=1S/C16H22N4/c1-3-15(17)10-14-4-5-16(19-11-14)20(2)12-13-6-8-18-9-7-13/h4-9,11,15H,3,10,12,17H2,1-2H3
InChIKeyMUGINAHKAPOHAE-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800
5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
CID 80630089
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
5-(2-aminobutyl)-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 80635244
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731
5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 80635154
5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633292
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 80634634) is 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is CCC(N)Cc1ccc(N(C)Cc2ccncc2)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is MUGINAHKAPOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-15(17)10-14-4-5-16(19-11-14)20(2)12-13-6-8-18-9-7-13/h4-9,11,15H,3,10,12,17H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80634634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).