3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile

C17H24N2O2 — CID 43288694

IUPAC3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
SMILESCN(CC(O)COc1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,12-13H2,1H3
InChIKeyOHPHUTHZTOENFS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.56
Rot. Bonds6

About 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile

3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile (PubChem CID 43288694) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
PubChem CID43288694
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
SMILESCN(CC(O)COc1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,12-13H2,1H3
InChIKeyOHPHUTHZTOENFS-UHFFFAOYSA-N
XLogP2.56
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
3-[3-[cyclopropylmethyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 54884113
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
3-[2-hydroxy-3-[methyl-(2-methyloxolan-3-yl)amino]propoxy]benzonitrile
CID 82737579
3-[2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]benzonitrile
CID 43288704
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
3-[3-[1-cyanopropan-2-yl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 63225286

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile (CID 43288694) is 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile is CN(CC(O)COc1cccc(C#N)c1)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile?
The InChIKey is OHPHUTHZTOENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,12-13H2,1H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile?
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 43288694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).