cyclohexylurea;methanamine

C8H19N3O — CID 142108304

IUPACcyclohexylurea;methanamine
SMILESCN.NC(=O)NC1CCCCC1
InChIInChI=1S/C7H14N2O.CH5N/c8-7(10)9-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H3,8,9,10);2H2,1H3
InChIKeyZSHFDXXFHVPGNX-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.56
Rot. Bonds1

About cyclohexylurea;methanamine

cyclohexylurea;methanamine (PubChem CID 142108304) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is cyclohexylurea;methanamine.

Molecular Properties

Compound Namecyclohexylurea;methanamine
PubChem CID142108304
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Namecyclohexylurea;methanamine
SMILESCN.NC(=O)NC1CCCCC1
InChIInChI=1S/C7H14N2O.CH5N/c8-7(10)9-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H3,8,9,10);2H2,1H3
InChIKeyZSHFDXXFHVPGNX-UHFFFAOYSA-N
XLogP0.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Dicyclohexylurea
CID 4277
Cyclohexylurea
CID 69684
1-Cyclohexyl-3-decyl-urea
CID 4359
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
Urea, N-dodecyl-
CID 75091
N-cyclohexyl-N'-cyclooctylurea
CID 840783
1-Cycloheptyl-3-cyclohexylurea
CID 844674
1-Cyclohexyl-3-dodecylurea
CID 4437430
Heptylurea
CID 39357
Hexylurea
CID 75092
N-Octylurea
CID 200490

Frequently Asked Questions

What is the IUPAC name of cyclohexylurea;methanamine?
The IUPAC name of cyclohexylurea;methanamine (CID 142108304) is cyclohexylurea;methanamine.
What is the SMILES notation for cyclohexylurea;methanamine?
The canonical SMILES for cyclohexylurea;methanamine is CN.NC(=O)NC1CCCCC1.
What is the InChIKey of cyclohexylurea;methanamine?
The InChIKey is ZSHFDXXFHVPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.CH5N/c8-7(10)9-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H3,8,9,10);2H2,1H3.
What are the key properties of cyclohexylurea;methanamine?
cyclohexylurea;methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylurea;methanamine is sourced from PubChem (CID 142108304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).