7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile

C19H22N2O — CID 141401076

IUPAC7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
SMILESCC1CCC(Oc2ccc3ccc(CN)cc3c2C#N)CC1
InChIInChI=1S/C19H22N2O/c1-13-2-7-16(8-3-13)22-19-9-6-15-5-4-14(11-20)10-17(15)18(19)12-21/h4-6,9-10,13,16H,2-3,7-8,11,20H2,1H3
InChIKeyPRJDCHQLVWGESH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.13
Rot. Bonds3

About 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile

7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile (PubChem CID 141401076) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
PubChem CID141401076
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
SMILESCC1CCC(Oc2ccc3ccc(CN)cc3c2C#N)CC1
InChIInChI=1S/C19H22N2O/c1-13-2-7-16(8-3-13)22-19-9-6-15-5-4-14(11-20)10-17(15)18(19)12-21/h4-6,9-10,13,16H,2-3,7-8,11,20H2,1H3
InChIKeyPRJDCHQLVWGESH-UHFFFAOYSA-N
XLogP4.13
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The IUPAC name of 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile (CID 141401076) is 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile.
What is the SMILES notation for 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The canonical SMILES for 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile is CC1CCC(Oc2ccc3ccc(CN)cc3c2C#N)CC1.
What is the InChIKey of 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The InChIKey is PRJDCHQLVWGESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-2-7-16(8-3-13)22-19-9-6-15-5-4-14(11-20)10-17(15)18(19)12-21/h4-6,9-10,13,16H,2-3,7-8,11,20H2,1H3.
What are the key properties of 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile is sourced from PubChem (CID 141401076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).