3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea

C9H18N2O2 — CID 40636941

IUPAC3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m1/s1
InChIKeyXFUXQDCSKHDMLV-HTQZYQBOSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds1

About 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea

3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea (PubChem CID 40636941) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
PubChem CID40636941
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m1/s1
InChIKeyXFUXQDCSKHDMLV-HTQZYQBOSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine
CID 170056778
2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
CID 79257267
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639
2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
1,1-dimethyl-3-(2-methylcyclopropyl)urea
CID 115608993
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea (CID 40636941) is 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea is CN(C)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea?
The InChIKey is XFUXQDCSKHDMLV-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea?
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea has a molecular weight of 186.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 40636941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).