1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile

C14H18N2 — CID 115242056

IUPAC1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C)c(N(C)CC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2/c1-11-4-5-12(2)13(8-11)16(3)10-14(9-15)6-7-14/h4-5,8H,6-7,10H2,1-3H3
InChIKeyIAPSAOJWOHYPEL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.04
Rot. Bonds3

About 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile

1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 115242056) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID115242056
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C)c(N(C)CC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2/c1-11-4-5-12(2)13(8-11)16(3)10-14(9-15)6-7-14/h4-5,8H,6-7,10H2,1-3H3
InChIKeyIAPSAOJWOHYPEL-UHFFFAOYSA-N
XLogP3.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
1-[(2-bromo-N-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242181
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247483
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242171
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
1-[(2-chloro-5-fluoro-N,4-dimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245218
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 82113622
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242095
1-[(2,4-dimethoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245139
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198

Frequently Asked Questions

What is the IUPAC name of 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile (CID 115242056) is 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile is Cc1ccc(C)c(N(C)CC2(C#N)CC2)c1.
What is the InChIKey of 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is IAPSAOJWOHYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-4-5-12(2)13(8-11)16(3)10-14(9-15)6-7-14/h4-5,8H,6-7,10H2,1-3H3.
What are the key properties of 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).