(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile

C18H24N2 — CID 6088162

IUPAC(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/C2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H24N2/c1-14-4-8-16(9-5-14)17(13-19)12-15-6-10-18(11-7-15)20(2)3/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3/b17-12+
InChIKeySAZSBMMADMRXCH-SFQUDFHCSA-N
MW268.40 g/mol
LogP4.02
Rot. Bonds3

About (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile

(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile (PubChem CID 6088162) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile
PubChem CID6088162
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/C2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H24N2/c1-14-4-8-16(9-5-14)17(13-19)12-15-6-10-18(11-7-15)20(2)3/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3/b17-12+
InChIKeySAZSBMMADMRXCH-SFQUDFHCSA-N
XLogP4.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
[2-cyano-2-(4-methylphenyl)ethenyl] methanesulfonate
CID 54287399
(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 91740452
(Z)-3-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)prop-2-enenitrile
CID 145403765
cyano 3-cyano-3-(4-methylphenyl)prop-2-enoate
CID 174971130
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
ethyl (E)-3-cyano-3-(4-methylphenyl)prop-2-enoate
CID 6373114
2-[4-(dimethylamino)phenyl]-4-oxobut-2-enenitrile
CID 173446807
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
(Z)-3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954957
2-[4-[1-isocyano-2-(4-methylphenyl)ethenyl]phenyl]-3-(4-methylphenyl)prop-2-enenitrile
CID 74007189

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile (CID 6088162) is (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile is Cc1ccc(/C(C#N)=C/C2CCC(N(C)C)CC2)cc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile?
The InChIKey is SAZSBMMADMRXCH-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-4-8-16(9-5-14)17(13-19)12-15-6-10-18(11-7-15)20(2)3/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3/b17-12+.
What are the key properties of (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile?
(Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile has a molecular weight of 268.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 6088162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).