3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile

C14H24N2O2 — CID 103727912

IUPAC3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(OC2CCOC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-7-16-14(11-15)6-3-4-12(9-14)18-13-5-8-17-10-13/h12-13,16H,2-10H2,1H3
InChIKeyNKIYHDJOBOFQLX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds5

About 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile

3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 103727912) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID103727912
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(OC2CCOC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-7-16-14(11-15)6-3-4-12(9-14)18-13-5-8-17-10-13/h12-13,16H,2-10H2,1H3
InChIKeyNKIYHDJOBOFQLX-UHFFFAOYSA-N
XLogP2.00
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578008
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79627570
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626086
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
CID 79639106

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile (CID 103727912) is 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(OC2CCOC2)C1.
What is the InChIKey of 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is NKIYHDJOBOFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-7-16-14(11-15)6-3-4-12(9-14)18-13-5-8-17-10-13/h12-13,16H,2-10H2,1H3.
What are the key properties of 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile?
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 103727912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).