N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline

C15H24N2 — CID 115245654

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
SMILESCc1ccc(NCC2(CN)CCC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3
InChIKeyGGBHFIOBNFJOSZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.15
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline (PubChem CID 115245654) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
PubChem CID115245654
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
SMILESCc1ccc(NCC2(CN)CCC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3
InChIKeyGGBHFIOBNFJOSZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline (CID 115245654) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline is Cc1ccc(NCC2(CN)CCC2)c(C)c1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline?
The InChIKey is GGBHFIOBNFJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)17-10-15(9-16)7-4-8-15/h5-6,17H,4,7-10,16H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline is sourced from PubChem (CID 115245654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).