1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile

C16H22N2 — CID 115245250

IUPAC1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCc1cc(C)c(CNCC2(C#N)CCC2)c(C)c1
InChIInChI=1S/C16H22N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(10-17)5-4-6-16/h7-8,18H,4-6,9,11H2,1-3H3
InChIKeyYFTFQCRFQZGMIE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds4

About 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile

1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245250) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245250
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCc1cc(C)c(CNCC2(C#N)CCC2)c(C)c1
InChIInChI=1S/C16H22N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(10-17)5-4-6-16/h7-8,18H,4-6,9,11H2,1-3H3
InChIKeyYFTFQCRFQZGMIE-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242262
3-[[2-(2,4,6-trimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248145
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
4,4-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65390567
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
4-[(2,4,6-trimethylphenyl)methyl]oxane-4-carbonitrile
CID 65395205
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile (CID 115245250) is 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile is Cc1cc(C)c(CNCC2(C#N)CCC2)c(C)c1.
What is the InChIKey of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is YFTFQCRFQZGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(10-17)5-4-6-16/h7-8,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).