1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile

C15H20N2O — CID 115242171

IUPAC1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1c(C)cc(N(C)CC2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-11-7-13(8-12(2)14(11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3
InChIKeyBSKCVYITAVBHOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds4

About 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile

1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 115242171) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID115242171
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1c(C)cc(N(C)CC2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-11-7-13(8-12(2)14(11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3
InChIKeyBSKCVYITAVBHOH-UHFFFAOYSA-N
XLogP3.05
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542
1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242095
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
1-[(2,4-dimethoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245139
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
1-[(2-chloro-4-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245166
2-(4-methoxy-N,2,3,5-tetramethylanilino)acetonitrile
CID 115130861
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile (CID 115242171) is 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile is COc1c(C)cc(N(C)CC2(C#N)CC2)cc1C.
What is the InChIKey of 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is BSKCVYITAVBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-7-13(8-12(2)14(11)18-4)17(3)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3.
What are the key properties of 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).