1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea

C13H24N2O — CID 103735099

IUPAC1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
SMILESCC1(CNC(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C13H24N2O/c1-13(8-5-9-13)10-14-12(16)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyBCQZXXYPOZHYDM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea

1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea (PubChem CID 103735099) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
PubChem CID103735099
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
SMILESCC1(CNC(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C13H24N2O/c1-13(8-5-9-13)10-14-12(16)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyBCQZXXYPOZHYDM-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
N-cyclohexyl-2-[(1-methylcyclopropyl)methylamino]acetamide
CID 107166293
1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
CID 103839051
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-methyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735098
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea (CID 103735099) is 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea is CC1(CNC(=O)NC2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea?
The InChIKey is BCQZXXYPOZHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(8-5-9-13)10-14-12(16)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea?
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea has a molecular weight of 224.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea is sourced from PubChem (CID 103735099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).