1,1-dimethyl-3-(3-methylcyclohexyl)urea

C10H20N2O — CID 112684551

IUPAC1,1-dimethyl-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyYSXQTUGXERVWHU-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds1

About 1,1-dimethyl-3-(3-methylcyclohexyl)urea

1,1-dimethyl-3-(3-methylcyclohexyl)urea (PubChem CID 112684551) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methylcyclohexyl)urea
PubChem CID112684551
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,1-dimethyl-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)N(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyYSXQTUGXERVWHU-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methylcyclohexyl)urea (CID 112684551) is 1,1-dimethyl-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-(3-methylcyclohexyl)urea?
The InChIKey is YSXQTUGXERVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1,1-dimethyl-3-(3-methylcyclohexyl)urea?
1,1-dimethyl-3-(3-methylcyclohexyl)urea has a molecular weight of 184.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 112684551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).