1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

C15H20N2 — CID 115242262

IUPAC1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(CNCC2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2/c1-11-6-13(3)14(7-12(11)2)8-17-10-15(9-16)4-5-15/h6-7,17H,4-5,8,10H2,1-3H3
InChIKeyZQXFZQLXRYVXSG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.01
Rot. Bonds4

About 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242262) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242262
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(CNCC2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2/c1-11-6-13(3)14(7-12(11)2)8-17-10-15(9-16)4-5-15/h6-7,17H,4-5,8,10H2,1-3H3
InChIKeyZQXFZQLXRYVXSG-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242301
1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242454
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242531
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242262) is 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is Cc1cc(C)c(CNCC2(C#N)CC2)cc1C.
What is the InChIKey of 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is ZQXFZQLXRYVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-13(3)14(7-12(11)2)8-17-10-15(9-16)4-5-15/h6-7,17H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).