(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide

C10H18N2O — CID 65120667

IUPAC(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide
SMILESCC1(C)CCC(O)(CNC#N)CC1
InChIInChI=1S/C10H18N2O/c1-9(2)3-5-10(13,6-4-9)7-12-8-11/h12-13H,3-7H2,1-2H3
InChIKeyFMWXVUAECSNGEM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.39
Rot. Bonds2

About (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide

(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide (PubChem CID 65120667) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide.

Molecular Properties

Compound Name(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide
PubChem CID65120667
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide
SMILESCC1(C)CCC(O)(CNC#N)CC1
InChIInChI=1S/C10H18N2O/c1-9(2)3-5-10(13,6-4-9)7-12-8-11/h12-13H,3-7H2,1-2H3
InChIKeyFMWXVUAECSNGEM-UHFFFAOYSA-N
XLogP1.39
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide?
The IUPAC name of (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide (CID 65120667) is (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide.
What is the SMILES notation for (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide?
The canonical SMILES for (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide is CC1(C)CCC(O)(CNC#N)CC1.
What is the InChIKey of (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide?
The InChIKey is FMWXVUAECSNGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)3-5-10(13,6-4-9)7-12-8-11/h12-13H,3-7H2,1-2H3.
What are the key properties of (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide?
(1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide has a molecular weight of 182.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4,4-dimethylcyclohexyl)methylcyanamide is sourced from PubChem (CID 65120667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).