1-cyclohexyl-1,3,3-trimethylurea

C10H20N2O — CID 59165080

IUPAC1-cyclohexyl-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H20N2O/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyDFPUNHWCCQKQJH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.93
Rot. Bonds1

About 1-cyclohexyl-1,3,3-trimethylurea

1-cyclohexyl-1,3,3-trimethylurea (PubChem CID 59165080) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexyl-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-cyclohexyl-1,3,3-trimethylurea
PubChem CID59165080
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclohexyl-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H20N2O/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyDFPUNHWCCQKQJH-UHFFFAOYSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-1,3,3-trimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-methylurea
CID 308344
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
1-Cyclohexyl-3-ethylurea
CID 5151398
1-Cyclohexyl-3-propylurea
CID 280347
1-Cyclohexyl-3-pentylurea
CID 3408191
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
3-Tert-butyl-1-cyclohexyl-1-methylurea
CID 306670

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3,3-trimethylurea?
The IUPAC name of 1-cyclohexyl-1,3,3-trimethylurea (CID 59165080) is 1-cyclohexyl-1,3,3-trimethylurea.
What is the SMILES notation for 1-cyclohexyl-1,3,3-trimethylurea?
The canonical SMILES for 1-cyclohexyl-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,3,3-trimethylurea?
The InChIKey is DFPUNHWCCQKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-1,3,3-trimethylurea?
1-cyclohexyl-1,3,3-trimethylurea has a molecular weight of 184.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3,3-trimethylurea is sourced from PubChem (CID 59165080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).