1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

C16H26N2 — CID 115246164

IUPAC1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CNCc2cc(C)ccc2C)CCC1
InChIInChI=1S/C16H26N2/c1-13-5-6-14(2)15(9-13)10-18-12-16(11-17-3)7-4-8-16/h5-6,9,17-18H,4,7-8,10-12H2,1-3H3
InChIKeyMXBRTARNCSTBBY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.78
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (PubChem CID 115246164) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
PubChem CID115246164
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CNCc2cc(C)ccc2C)CCC1
InChIInChI=1S/C16H26N2/c1-13-5-6-14(2)15(9-13)10-18-12-16(11-17-3)7-4-8-16/h5-6,9,17-18H,4,7-8,10-12H2,1-3H3
InChIKeyMXBRTARNCSTBBY-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
N-[[1-[(2,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194883
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242888
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (CID 115246164) is 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is CNCC1(CNCc2cc(C)ccc2C)CCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The InChIKey is MXBRTARNCSTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-5-6-14(2)15(9-13)10-18-12-16(11-17-3)7-4-8-16/h5-6,9,17-18H,4,7-8,10-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is sourced from PubChem (CID 115246164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).