3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline

C13H22N2 — CID 102813812

IUPAC3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCN(CC(C)(C)C)c1cccc(CN)c1
InChIInChI=1S/C13H22N2/c1-13(2,3)10-15(4)12-7-5-6-11(8-12)9-14/h5-8H,9-10,14H2,1-4H3
InChIKeyNUWWHHQYKGFFPQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.63
Rot. Bonds3

About 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline

3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline (PubChem CID 102813812) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
PubChem CID102813812
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCN(CC(C)(C)C)c1cccc(CN)c1
InChIInChI=1S/C13H22N2/c1-13(2,3)10-15(4)12-7-5-6-11(8-12)9-14/h5-8H,9-10,14H2,1-4H3
InChIKeyNUWWHHQYKGFFPQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889710
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
N,N-dimethylaniline;phenylmethanamine
CID 159620878
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline (CID 102813812) is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline is CN(CC(C)(C)C)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The InChIKey is NUWWHHQYKGFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)10-15(4)12-7-5-6-11(8-12)9-14/h5-8H,9-10,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline is sourced from PubChem (CID 102813812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).