[4-(dimethylamino)cyclohexyl]urea

C9H19N3O — CID 59286114

IUPAC[4-(dimethylamino)cyclohexyl]urea
SMILESCN(C)C1CCC(NC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h7-8H,3-6H2,1-2H3,(H3,10,11,13)
InChIKeyRMGDYVYQGBIUKP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds2

About [4-(dimethylamino)cyclohexyl]urea

[4-(dimethylamino)cyclohexyl]urea (PubChem CID 59286114) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-(dimethylamino)cyclohexyl]urea.

Molecular Properties

Compound Name[4-(dimethylamino)cyclohexyl]urea
PubChem CID59286114
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name[4-(dimethylamino)cyclohexyl]urea
SMILESCN(C)C1CCC(NC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h7-8H,3-6H2,1-2H3,(H3,10,11,13)
InChIKeyRMGDYVYQGBIUKP-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
CID 66565735
cyclobutylurea;ethane
CID 145319429
(4-chlorocyclohexyl)urea
CID 86732946
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
cyclohexylurea;methanamine
CID 142108304
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
[4-(ethylamino)cyclohexyl]urea
CID 43653665
acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea
CID 144985751
N-[(1R,3R)-3-(dimethylamino)cyclopentyl]acetamide
CID 131085914
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
(2R)-2-amino-N-[3-(dimethylamino)cyclopentyl]propanamide
CID 131172237

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)cyclohexyl]urea?
The IUPAC name of [4-(dimethylamino)cyclohexyl]urea (CID 59286114) is [4-(dimethylamino)cyclohexyl]urea.
What is the SMILES notation for [4-(dimethylamino)cyclohexyl]urea?
The canonical SMILES for [4-(dimethylamino)cyclohexyl]urea is CN(C)C1CCC(NC(N)=O)CC1.
What is the InChIKey of [4-(dimethylamino)cyclohexyl]urea?
The InChIKey is RMGDYVYQGBIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h7-8H,3-6H2,1-2H3,(H3,10,11,13).
What are the key properties of [4-(dimethylamino)cyclohexyl]urea?
[4-(dimethylamino)cyclohexyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)cyclohexyl]urea is sourced from PubChem (CID 59286114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).