1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile

C16H22N2 — CID 116912026

IUPAC1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(N(C)C)C2(C#N)CC2)c(C)c1C
InChIInChI=1S/C16H22N2/c1-11-6-7-14(13(3)12(11)2)15(18(4)5)16(10-17)8-9-16/h6-7,15H,8-9H2,1-5H3
InChIKeyYHTBFASOKQAIIP-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.52
Rot. Bonds3

About 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile

1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116912026) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116912026
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(N(C)C)C2(C#N)CC2)c(C)c1C
InChIInChI=1S/C16H22N2/c1-11-6-7-14(13(3)12(11)2)15(18(4)5)16(10-17)8-9-16/h6-7,15H,8-9H2,1-5H3
InChIKeyYHTBFASOKQAIIP-UHFFFAOYSA-N
XLogP3.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
CID 116911928
3-[dimethylamino-(2,4,5-trimethylphenyl)methyl]oxetane-3-carbonitrile
CID 116912834
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
3-[(2,4-difluorophenyl)-(dimethylamino)methyl]oxetane-3-carbonitrile
CID 116912828
1-[(3-bromo-4-methoxyphenyl)-(dimethylamino)methyl]cyclopropane-1-carbonitrile
CID 116911959
1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116943013
1-hydrazinyl-N,N-dimethyl-1-(2,3,4-trimethylphenyl)methanamine
CID 116914969
1-[(2,5-dimethylphenyl)-hydroxymethyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136535
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile
CID 116912830
1-[hydroxy-(2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136881

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile (CID 116912026) is 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile is Cc1ccc(C(N(C)C)C2(C#N)CC2)c(C)c1C.
What is the InChIKey of 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is YHTBFASOKQAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-6-7-14(13(3)12(11)2)15(18(4)5)16(10-17)8-9-16/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116912026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).