1,1-diethylcyclohexane;urea

C12H28N4O2 — CID 67178614

IUPAC1,1-diethylcyclohexane;urea
SMILESCCC1(CC)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C10H20.2CH4N2O/c1-3-10(4-2)8-6-5-7-9-10;2*2-1(3)4/h3-9H2,1-2H3;2*(H4,2,3,4)
InChIKeyGCYYLXQGDKCDEV-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.80
Rot. Bonds2

About 1,1-diethylcyclohexane;urea

1,1-diethylcyclohexane;urea (PubChem CID 67178614) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1-diethylcyclohexane;urea.

Molecular Properties

Compound Name1,1-diethylcyclohexane;urea
PubChem CID67178614
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name1,1-diethylcyclohexane;urea
SMILESCCC1(CC)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C10H20.2CH4N2O/c1-3-10(4-2)8-6-5-7-9-10;2*2-1(3)4/h3-9H2,1-2H3;2*(H4,2,3,4)
InChIKeyGCYYLXQGDKCDEV-UHFFFAOYSA-N
XLogP1.80
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylcyclohexane;urea?
The IUPAC name of 1,1-diethylcyclohexane;urea (CID 67178614) is 1,1-diethylcyclohexane;urea.
What is the SMILES notation for 1,1-diethylcyclohexane;urea?
The canonical SMILES for 1,1-diethylcyclohexane;urea is CCC1(CC)CCCCC1.NC(N)=O.NC(N)=O.
What is the InChIKey of 1,1-diethylcyclohexane;urea?
The InChIKey is GCYYLXQGDKCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2CH4N2O/c1-3-10(4-2)8-6-5-7-9-10;2*2-1(3)4/h3-9H2,1-2H3;2*(H4,2,3,4).
What are the key properties of 1,1-diethylcyclohexane;urea?
1,1-diethylcyclohexane;urea has a molecular weight of 260.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylcyclohexane;urea is sourced from PubChem (CID 67178614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).