1-(1-cyanocyclooctyl)-3-cyclohexylurea

C16H27N3O — CID 61124742

IUPAC1-(1-cyanocyclooctyl)-3-cyclohexylurea
SMILESN#CC1(NC(=O)NC2CCCCC2)CCCCCCC1
InChIInChI=1S/C16H27N3O/c17-13-16(11-7-2-1-3-8-12-16)19-15(20)18-14-9-5-4-6-10-14/h14H,1-12H2,(H2,18,19,20)
InChIKeyOJBRHSPCRUZMKD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds2

About 1-(1-cyanocyclooctyl)-3-cyclohexylurea

1-(1-cyanocyclooctyl)-3-cyclohexylurea (PubChem CID 61124742) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-cyanocyclooctyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-cyanocyclooctyl)-3-cyclohexylurea
PubChem CID61124742
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(1-cyanocyclooctyl)-3-cyclohexylurea
SMILESN#CC1(NC(=O)NC2CCCCC2)CCCCCCC1
InChIInChI=1S/C16H27N3O/c17-13-16(11-7-2-1-3-8-12-16)19-15(20)18-14-9-5-4-6-10-14/h14H,1-12H2,(H2,18,19,20)
InChIKeyOJBRHSPCRUZMKD-UHFFFAOYSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
1-(1-cyanocyclooctyl)-3-(1,1-dioxothian-4-yl)urea
CID 167873077
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
CID 70338332
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclooctyl)-3-cyclohexylurea?
The IUPAC name of 1-(1-cyanocyclooctyl)-3-cyclohexylurea (CID 61124742) is 1-(1-cyanocyclooctyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-cyanocyclooctyl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-cyanocyclooctyl)-3-cyclohexylurea is N#CC1(NC(=O)NC2CCCCC2)CCCCCCC1.
What is the InChIKey of 1-(1-cyanocyclooctyl)-3-cyclohexylurea?
The InChIKey is OJBRHSPCRUZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-13-16(11-7-2-1-3-8-12-16)19-15(20)18-14-9-5-4-6-10-14/h14H,1-12H2,(H2,18,19,20).
What are the key properties of 1-(1-cyanocyclooctyl)-3-cyclohexylurea?
1-(1-cyanocyclooctyl)-3-cyclohexylurea has a molecular weight of 277.41 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclooctyl)-3-cyclohexylurea is sourced from PubChem (CID 61124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).