1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea

C16H30N2O — CID 78892469

IUPAC1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
SMILESCN(C(=O)NCCCC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-18(15-11-3-2-4-12-15)16(19)17-13-7-10-14-8-5-6-9-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyUTMWJKBZWZZZBX-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.93
Rot. Bonds5

About 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea

1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea (PubChem CID 78892469) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
PubChem CID78892469
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
SMILESCN(C(=O)NCCCC1CCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-18(15-11-3-2-4-12-15)16(19)17-13-7-10-14-8-5-6-9-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyUTMWJKBZWZZZBX-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
3-(2-cyclohexylethyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108888590
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
3-cyclohexylpropylcarbamic acid
CID 54479876
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
3-[tert-butyl(3-cyclopentylpropylcarbamoyl)amino]propanoic acid
CID 106005357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea (CID 78892469) is 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea is CN(C(=O)NCCCC1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea?
The InChIKey is UTMWJKBZWZZZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(15-11-3-2-4-12-15)16(19)17-13-7-10-14-8-5-6-9-14/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea?
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea has a molecular weight of 266.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea is sourced from PubChem (CID 78892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).