(1-hydroxy-3-methylcyclohexyl)methylurea

C9H18N2O2 — CID 63374230

IUPAC(1-hydroxy-3-methylcyclohexyl)methylurea
SMILESCC1CCCC(O)(CNC(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-7-3-2-4-9(13,5-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyXECQDKYUZRPLDH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.60
Rot. Bonds2

About (1-hydroxy-3-methylcyclohexyl)methylurea

(1-hydroxy-3-methylcyclohexyl)methylurea (PubChem CID 63374230) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-hydroxy-3-methylcyclohexyl)methylurea.

Molecular Properties

Compound Name(1-hydroxy-3-methylcyclohexyl)methylurea
PubChem CID63374230
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-hydroxy-3-methylcyclohexyl)methylurea
SMILESCC1CCCC(O)(CNC(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-7-3-2-4-9(13,5-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyXECQDKYUZRPLDH-UHFFFAOYSA-N
XLogP0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methylcyclohexyl)methylurea?
The IUPAC name of (1-hydroxy-3-methylcyclohexyl)methylurea (CID 63374230) is (1-hydroxy-3-methylcyclohexyl)methylurea.
What is the SMILES notation for (1-hydroxy-3-methylcyclohexyl)methylurea?
The canonical SMILES for (1-hydroxy-3-methylcyclohexyl)methylurea is CC1CCCC(O)(CNC(N)=O)C1.
What is the InChIKey of (1-hydroxy-3-methylcyclohexyl)methylurea?
The InChIKey is XECQDKYUZRPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-3-2-4-9(13,5-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of (1-hydroxy-3-methylcyclohexyl)methylurea?
(1-hydroxy-3-methylcyclohexyl)methylurea has a molecular weight of 186.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methylcyclohexyl)methylurea is sourced from PubChem (CID 63374230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).