4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol

C14H26N2O2 — CID 88933828

IUPAC4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol
SMILESCN(C)C1CCC(N=O)CC1C1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-16(2)14-8-5-11(15-18)9-13(14)10-3-6-12(17)7-4-10/h10-14,17H,3-9H2,1-2H3
InChIKeyPPPVFFXYACYANU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.40
Rot. Bonds3

About 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol

4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol (PubChem CID 88933828) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol
PubChem CID88933828
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol
SMILESCN(C)C1CCC(N=O)CC1C1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-16(2)14-8-5-11(15-18)9-13(14)10-3-6-12(17)7-4-10/h10-14,17H,3-9H2,1-2H3
InChIKeyPPPVFFXYACYANU-UHFFFAOYSA-N
XLogP2.40
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-4-nitrosocycloheptan-1-ol
CID 159405282
(6R,9R)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70407816
(6S,9S)-6-(dimethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70408550
(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70409149
4-(dimethylamino)cyclohexan-1-ol;vanadium
CID 176696741
(3aR,4R,5S,6S,7aS)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 7648348
(3aS,4R,5R,6S,7aR)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 11911013
(4R,7R)-2-(dimethylamino)-8-oxabicyclo[5.1.0]octan-4-ol
CID 90321400
ethane;(3S,14S)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one
CID 144685601
cyclohexane-1,4-diol
CID 11162
4-[(1S,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99133670
5-(4-hydroxy-2-methylcyclohexyl)-2-methylcyclohexan-1-ol
CID 139824932

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol (CID 88933828) is 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol is CN(C)C1CCC(N=O)CC1C1CCC(O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol?
The InChIKey is PPPVFFXYACYANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(2)14-8-5-11(15-18)9-13(14)10-3-6-12(17)7-4-10/h10-14,17H,3-9H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol?
4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-5-nitrosocyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 88933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).