5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile

C13H24N2O — CID 115652692

IUPAC5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCC(O)C1
InChIInChI=1S/C13H24N2O/c1-13(2,7-4-8-14)10-15-11-5-3-6-12(16)9-11/h11-12,15-16H,3-7,9-10H2,1-2H3
InChIKeyLOIFFNMNMOEXLW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.21
Rot. Bonds5

About 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile

5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile (PubChem CID 115652692) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
PubChem CID115652692
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCC(O)C1
InChIInChI=1S/C13H24N2O/c1-13(2,7-4-8-14)10-15-11-5-3-6-12(16)9-11/h11-12,15-16H,3-7,9-10H2,1-2H3
InChIKeyLOIFFNMNMOEXLW-UHFFFAOYSA-N
XLogP2.21
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pentanenitrile
CID 115652082
3-(2-Methylhexan-2-ylamino)cyclohexan-1-ol
CID 146436745
3-[(3-Hydroxycyclohexyl)amino]pentanenitrile
CID 177125251
3-(2-Methylpentylamino)cyclohexan-1-ol
CID 43751026
3-(2-Methylbutylamino)cyclohexan-1-ol
CID 43751081
3-(3-Methylbutylamino)cyclohexan-1-ol
CID 43751192
3-(5-Methylhexan-2-ylamino)cyclohexan-1-ol
CID 43751238
3-[1-(1-Methylcyclopropyl)ethylamino]cyclohexan-1-ol
CID 43751267
3-(3-Methylbutan-2-ylamino)cyclohexan-1-ol
CID 43751299
3-(4-Methylpentan-2-ylamino)cyclohexan-1-ol
CID 43751304
3-(2-Methylpentan-3-ylamino)cyclohexan-1-ol
CID 43792301
3-(2,2-Dimethylpropylamino)cyclohexan-1-ol
CID 61326186

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile (CID 115652692) is 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNC1CCCC(O)C1.
What is the InChIKey of 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile?
The InChIKey is LOIFFNMNMOEXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,7-4-8-14)10-15-11-5-3-6-12(16)9-11/h11-12,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile?
5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115652692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).