1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride

C10H21ClN2O — CID 174296149

IUPAC1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride
SMILESCCN(C(N)=O)C1CCCCC1C.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-3-12(10(11)13)9-7-5-4-6-8(9)2;/h8-9H,3-7H2,1-2H3,(H2,11,13);1H
InChIKeyVIZHLKVRVJUDPH-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.39
Rot. Bonds2

About 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride

1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride (PubChem CID 174296149) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride
PubChem CID174296149
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride
SMILESCCN(C(N)=O)C1CCCCC1C.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-3-12(10(11)13)9-7-5-4-6-8(9)2;/h8-9H,3-7H2,1-2H3,(H2,11,13);1H
InChIKeyVIZHLKVRVJUDPH-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride?
The IUPAC name of 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride (CID 174296149) is 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride.
What is the SMILES notation for 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride?
The canonical SMILES for 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride is CCN(C(N)=O)C1CCCCC1C.Cl.
What is the InChIKey of 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride?
The InChIKey is VIZHLKVRVJUDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-3-12(10(11)13)9-7-5-4-6-8(9)2;/h8-9H,3-7H2,1-2H3,(H2,11,13);1H.
What are the key properties of 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride?
1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride is sourced from PubChem (CID 174296149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).