1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile

C18H32N2O — CID 79627570

IUPAC1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H32N2O/c1-5-20-18(13-19)8-6-7-15(12-18)21-16-9-14(2)10-17(3,4)11-16/h14-16,20H,5-12H2,1-4H3
InChIKeyQWMJZGQFEARION-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.03
Rot. Bonds4

About 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile

1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile (PubChem CID 79627570) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
PubChem CID79627570
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H32N2O/c1-5-20-18(13-19)8-6-7-15(12-18)21-16-9-14(2)10-17(3,4)11-16/h14-16,20H,5-12H2,1-4H3
InChIKeyQWMJZGQFEARION-UHFFFAOYSA-N
XLogP4.03
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 103727912
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79576507
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile (CID 79627570) is 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(OC2CC(C)CC(C)(C)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile?
The InChIKey is QWMJZGQFEARION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-20-18(13-19)8-6-7-15(12-18)21-16-9-14(2)10-17(3,4)11-16/h14-16,20H,5-12H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile?
1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile is sourced from PubChem (CID 79627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).