3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

C14H26N2O2 — CID 79637079

IUPAC3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCOCC(C)OC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-14(10-15)7-5-6-13(8-14)18-12(3)9-17-4/h11-13,16H,5-9H2,1-4H3
InChIKeyHSMWZOMSDDURJY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds6

About 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 79637079) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID79637079
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCOCC(C)OC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-14(10-15)7-5-6-13(8-14)18-12(3)9-17-4/h11-13,16H,5-9H2,1-4H3
InChIKeyHSMWZOMSDDURJY-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile
CID 79650050
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626579
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (CID 79637079) is 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is COCC(C)OC1CCCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is HSMWZOMSDDURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16-14(10-15)7-5-6-13(8-14)18-12(3)9-17-4/h11-13,16H,5-9H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 254.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79637079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).