1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea

C13H24N2O — CID 155200065

IUPAC1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NCC1CCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-12-7-4-8-12)14-9-11-5-2-1-3-6-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeySVZNWEDWZJZOAO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.67
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea

1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea (PubChem CID 155200065) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
PubChem CID155200065
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NCC1CCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-12-7-4-8-12)14-9-11-5-2-1-3-6-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeySVZNWEDWZJZOAO-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
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CID 122016431
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea
CID 128733061
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
CID 164636939
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
N-(cyclobutylmethyl)-1-silylformamide
CID 153187562
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea (CID 155200065) is 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea?
The InChIKey is SVZNWEDWZJZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(15-10-12-7-4-8-12)14-9-11-5-2-1-3-6-11/h11-12H,1-10H2,(H2,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea?
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea has a molecular weight of 224.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 155200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).