1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile

C15H19N — CID 116837060

IUPAC1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)Cc1ccc(CC2(C#N)CC2)cc1
InChIInChI=1S/C15H19N/c1-12(2)9-13-3-5-14(6-4-13)10-15(11-16)7-8-15/h3-6,12H,7-10H2,1-2H3
InChIKeyNCNUOHWEYDMFBW-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile

1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile (PubChem CID 116837060) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile
PubChem CID116837060
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)Cc1ccc(CC2(C#N)CC2)cc1
InChIInChI=1S/C15H19N/c1-12(2)9-13-3-5-14(6-4-13)10-15(11-16)7-8-15/h3-6,12H,7-10H2,1-2H3
InChIKeyNCNUOHWEYDMFBW-UHFFFAOYSA-N
XLogP3.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837097
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669
3-[[4-(2-methylpropyl)anilino]methyl]oxetane-3-carbonitrile
CID 115247737
1-[(4-iodophenyl)methyl]cyclopentane-1-carbonitrile
CID 65490985
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
CID 80602331
1-[(4-iodophenyl)methyl]cycloheptane-1-carbonitrile
CID 65491776
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
1-[4-(2-methylpropyl)benzoyl]cyclobutane-1-carbonitrile
CID 116921488
4-[(4-bromophenyl)methyl]oxane-4-carbonitrile
CID 65394794
1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874884

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile (CID 116837060) is 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile is CC(C)Cc1ccc(CC2(C#N)CC2)cc1.
What is the InChIKey of 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is NCNUOHWEYDMFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12(2)9-13-3-5-14(6-4-13)10-15(11-16)7-8-15/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile?
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 213.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).