2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile

C11H20N2O2 — CID 106190343

IUPAC2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCOCC(CO)NC1CCCCC1C#N
InChIInChI=1S/C11H20N2O2/c1-15-8-10(7-14)13-11-5-3-2-4-9(11)6-12/h9-11,13-14H,2-5,7-8H2,1H3
InChIKeyIWHDQDOIEXPEES-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 106190343) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID106190343
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCOCC(CO)NC1CCCCC1C#N
InChIInChI=1S/C11H20N2O2/c1-15-8-10(7-14)13-11-5-3-2-4-9(11)6-12/h9-11,13-14H,2-5,7-8H2,1H3
InChIKeyIWHDQDOIEXPEES-UHFFFAOYSA-N
XLogP0.67
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(2-methoxycyclohexyl)amino]propan-1-ol
CID 106186803
2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62741099
2-[(1-methoxy-3-methylbutan-2-yl)amino]cycloheptane-1-carbonitrile
CID 65049555
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
2-(4-methoxybutan-2-ylamino)cycloheptane-1-carbonitrile
CID 64605253
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol
CID 106187583
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
2-(1-ethoxypropan-2-ylamino)cycloheptane-1-carbonitrile
CID 62742631
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
CID 62743028
methyl 2-[(2-cyanocyclopentyl)amino]-4-methylpentanoate
CID 55114184

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile (CID 106190343) is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile is COCC(CO)NC1CCCCC1C#N.
What is the InChIKey of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is IWHDQDOIEXPEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-8-10(7-14)13-11-5-3-2-4-9(11)6-12/h9-11,13-14H,2-5,7-8H2,1H3.
What are the key properties of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile?
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 212.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 106190343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).