1-(cyclooctylmethyl)-3-cyclopropylurea

C13H24N2O — CID 87025156

IUPAC1-(cyclooctylmethyl)-3-cyclopropylurea
SMILESO=C(NCC1CCCCCCC1)NC1CC1
InChIInChI=1S/C13H24N2O/c16-13(15-12-8-9-12)14-10-11-6-4-2-1-3-5-7-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyRBNJMPCGLTYOFW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.81
Rot. Bonds3

About 1-(cyclooctylmethyl)-3-cyclopropylurea

1-(cyclooctylmethyl)-3-cyclopropylurea (PubChem CID 87025156) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-cyclopropylurea
PubChem CID87025156
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(cyclooctylmethyl)-3-cyclopropylurea
SMILESO=C(NCC1CCCCCCC1)NC1CC1
InChIInChI=1S/C13H24N2O/c16-13(15-12-8-9-12)14-10-11-6-4-2-1-3-5-7-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyRBNJMPCGLTYOFW-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-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
CID 47186734
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-cyclopropylurea?
The IUPAC name of 1-(cyclooctylmethyl)-3-cyclopropylurea (CID 87025156) is 1-(cyclooctylmethyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-cyclopropylurea?
The canonical SMILES for 1-(cyclooctylmethyl)-3-cyclopropylurea is O=C(NCC1CCCCCCC1)NC1CC1.
What is the InChIKey of 1-(cyclooctylmethyl)-3-cyclopropylurea?
The InChIKey is RBNJMPCGLTYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(15-12-8-9-12)14-10-11-6-4-2-1-3-5-7-11/h11-12H,1-10H2,(H2,14,15,16).
What are the key properties of 1-(cyclooctylmethyl)-3-cyclopropylurea?
1-(cyclooctylmethyl)-3-cyclopropylurea 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-(cyclooctylmethyl)-3-cyclopropylurea is sourced from PubChem (CID 87025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).