2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline

C14H24N2 — CID 107926001

IUPAC2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(C)cc1CN
InChIInChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-7-6-12(3)8-13(14)9-15/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyPGPZQZJZOHVAPQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.94
Rot. Bonds5

About 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline

2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline (PubChem CID 107926001) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
PubChem CID107926001
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(C)cc1CN
InChIInChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-7-6-12(3)8-13(14)9-15/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyPGPZQZJZOHVAPQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
5-(aminomethyl)-N,2-dimethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81248991
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114016626
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 107926195
5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
CID 114016676
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
CID 114016631

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline (CID 107926001) is 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1ccc(C)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline?
The InChIKey is PGPZQZJZOHVAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-7-6-12(3)8-13(14)9-15/h6-8,11H,5,9-10,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline?
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 107926001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).