1-(4-ethylcyclohexyl)-1-methylurea

C10H20N2O — CID 61449062

IUPAC1-(4-ethylcyclohexyl)-1-methylurea
SMILESCCC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C10H20N2O/c1-3-8-4-6-9(7-5-8)12(2)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyCQEKKJSFTYWATF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.97
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-1-methylurea

1-(4-ethylcyclohexyl)-1-methylurea (PubChem CID 61449062) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-1-methylurea.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-1-methylurea
PubChem CID61449062
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-ethylcyclohexyl)-1-methylurea
SMILESCCC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C10H20N2O/c1-3-8-4-6-9(7-5-8)12(2)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyCQEKKJSFTYWATF-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-1-methylurea?
The IUPAC name of 1-(4-ethylcyclohexyl)-1-methylurea (CID 61449062) is 1-(4-ethylcyclohexyl)-1-methylurea.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-1-methylurea?
The canonical SMILES for 1-(4-ethylcyclohexyl)-1-methylurea is CCC1CCC(N(C)C(N)=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-1-methylurea?
The InChIKey is CQEKKJSFTYWATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-8-4-6-9(7-5-8)12(2)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 1-(4-ethylcyclohexyl)-1-methylurea?
1-(4-ethylcyclohexyl)-1-methylurea has a molecular weight of 184.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-1-methylurea is sourced from PubChem (CID 61449062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).