2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

C17H23N3 — CID 63786813

IUPAC2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C17H23N3/c1-3-15(18)12-14-8-4-5-10-17(14)20(2)13-16-9-6-7-11-19-16/h4-11,15H,3,12-13,18H2,1-2H3
InChIKeyMMYJGNDNAHOXDK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 63786813) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID63786813
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C17H23N3/c1-3-15(18)12-14-8-4-5-10-17(14)20(2)13-16-9-6-7-11-19-16/h4-11,15H,3,12-13,18H2,1-2H3
InChIKeyMMYJGNDNAHOXDK-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-(2-aminobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylaniline
CID 63816850
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786816
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 63786813) is 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is CCC(N)Cc1ccccc1N(C)Cc1ccccn1.
What is the InChIKey of 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is MMYJGNDNAHOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-15(18)12-14-8-4-5-10-17(14)20(2)13-16-9-6-7-11-19-16/h4-11,15H,3,12-13,18H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 63786813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).