2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C16H26N2 — CID 115246081

IUPAC2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2ccc(C)c(C)c2C)CCC1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(14(3)13(12)2)18-11-16(10-17-4)8-5-9-16/h6-7,17-18H,5,8-11H2,1-4H3
InChIKeyPKRNIMMKRXMKDM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.41
Rot. Bonds5

About 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246081) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound Name2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246081
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2ccc(C)c(C)c2C)CCC1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(14(3)13(12)2)18-11-16(10-17-4)8-5-9-16/h6-7,17-18H,5,8-11H2,1-4H3
InChIKeyPKRNIMMKRXMKDM-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
5-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]furan-2-amine
CID 115246076
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115244526
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246081) is 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CNc2ccc(C)c(C)c2C)CCC1.
What is the InChIKey of 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is PKRNIMMKRXMKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-7-15(14(3)13(12)2)18-11-16(10-17-4)8-5-9-16/h6-7,17-18H,5,8-11H2,1-4H3.
What are the key properties of 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).