1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile

C16H22N2 — CID 115245332

IUPAC1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCCc1ccc(CN(C)CC2(C#N)CCC2)cc1
InChIInChI=1S/C16H22N2/c1-3-14-5-7-15(8-6-14)11-18(2)13-16(12-17)9-4-10-16/h5-8H,3-4,9-11,13H2,1-2H3
InChIKeyAYXRYLGEWUXMPF-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.37
Rot. Bonds5

About 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile

1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245332) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245332
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCCc1ccc(CN(C)CC2(C#N)CCC2)cc1
InChIInChI=1S/C16H22N2/c1-3-14-5-7-15(8-6-14)11-18(2)13-16(12-17)9-4-10-16/h5-8H,3-4,9-11,13H2,1-2H3
InChIKeyAYXRYLGEWUXMPF-UHFFFAOYSA-N
XLogP3.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,5-difluorophenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245356
2-[(4-ethylphenyl)methyl-methylamino]acetonitrile
CID 60700013
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669
3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248060
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
1-[[(4-ethoxy-3-fluorophenyl)methyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242382
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
1-[[(1,2-dimethylbenzimidazol-5-yl)methyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242408
1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242046

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile (CID 115245332) is 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile is CCc1ccc(CN(C)CC2(C#N)CCC2)cc1.
What is the InChIKey of 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is AYXRYLGEWUXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-14-5-7-15(8-6-14)11-18(2)13-16(12-17)9-4-10-16/h5-8H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile?
1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).