3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile

C17H30N2O — CID 79636159

IUPAC3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-4-19-17(12-18)9-5-6-16(11-17)20-15-8-7-13(2)14(3)10-15/h13-16,19H,4-11H2,1-3H3
InChIKeyRYTWLAYYNCUWHZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.64
Rot. Bonds4

About 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile

3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79636159) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79636159
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-4-19-17(12-18)9-5-6-16(11-17)20-15-8-7-13(2)14(3)10-15/h13-16,19H,4-11H2,1-3H3
InChIKeyRYTWLAYYNCUWHZ-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79627570
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 103727912
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654280
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79636159) is 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(OC2CCC(C)C(C)C2)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is RYTWLAYYNCUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-19-17(12-18)9-5-6-16(11-17)20-15-8-7-13(2)14(3)10-15/h13-16,19H,4-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile?
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79636159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).