1,1-dimethylcyclohexane;urea

C10H24N4O2 — CID 67181785

IUPAC1,1-dimethylcyclohexane;urea
SMILESCC1(C)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C8H16.2CH4N2O/c1-8(2)6-4-3-5-7-8;2*2-1(3)4/h3-7H2,1-2H3;2*(H4,2,3,4)
InChIKeyHBQAZSAJSROODG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.02
Rot. Bonds

About 1,1-dimethylcyclohexane;urea

1,1-dimethylcyclohexane;urea (PubChem CID 67181785) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;urea.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;urea
PubChem CID67181785
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name1,1-dimethylcyclohexane;urea
SMILESCC1(C)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C8H16.2CH4N2O/c1-8(2)6-4-3-5-7-8;2*2-1(3)4/h3-7H2,1-2H3;2*(H4,2,3,4)
InChIKeyHBQAZSAJSROODG-UHFFFAOYSA-N
XLogP1.02
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;urea?
The IUPAC name of 1,1-dimethylcyclohexane;urea (CID 67181785) is 1,1-dimethylcyclohexane;urea.
What is the SMILES notation for 1,1-dimethylcyclohexane;urea?
The canonical SMILES for 1,1-dimethylcyclohexane;urea is CC1(C)CCCCC1.NC(N)=O.NC(N)=O.
What is the InChIKey of 1,1-dimethylcyclohexane;urea?
The InChIKey is HBQAZSAJSROODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2CH4N2O/c1-8(2)6-4-3-5-7-8;2*2-1(3)4/h3-7H2,1-2H3;2*(H4,2,3,4).
What are the key properties of 1,1-dimethylcyclohexane;urea?
1,1-dimethylcyclohexane;urea has a molecular weight of 232.33 g/mol, XLogP of 1.02, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;urea is sourced from PubChem (CID 67181785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).