3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile

C14H26N2O2 — CID 79637001

IUPAC3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(OC(C)COC)C1
InChIInChI=1S/C14H26N2O2/c1-4-8-16-14(11-15)7-5-6-13(9-14)18-12(2)10-17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyGGLNORONFZNSCX-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds7

About 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile

3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79637001) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79637001
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(OC(C)COC)C1
InChIInChI=1S/C14H26N2O2/c1-4-8-16-14(11-15)7-5-6-13(9-14)18-12(2)10-17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyGGLNORONFZNSCX-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile (CID 79637001) is 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(OC(C)COC)C1.
What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is GGLNORONFZNSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-8-16-14(11-15)7-5-6-13(9-14)18-12(2)10-17-3/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 254.37 g/mol, XLogP of 2.24, 7 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-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79637001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).