(1-hydroxy-4-methylcyclohexyl)methylurea

C9H18N2O2 — CID 65121718

IUPAC(1-hydroxy-4-methylcyclohexyl)methylurea
SMILESCC1CCC(O)(CNC(N)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-7-2-4-9(13,5-3-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyWVJRAAAADDPYPN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.60
Rot. Bonds2

About (1-hydroxy-4-methylcyclohexyl)methylurea

(1-hydroxy-4-methylcyclohexyl)methylurea (PubChem CID 65121718) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)methylurea.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)methylurea
PubChem CID65121718
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-hydroxy-4-methylcyclohexyl)methylurea
SMILESCC1CCC(O)(CNC(N)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-7-2-4-9(13,5-3-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12)
InChIKeyWVJRAAAADDPYPN-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-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 79348734
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpentanamide
CID 65119829
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65119498
2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65120019
2-[(1-hydroxy-4-methylcyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 65116832
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylcyclohexyl)methylurea?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)methylurea (CID 65121718) is (1-hydroxy-4-methylcyclohexyl)methylurea.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)methylurea?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)methylurea is CC1CCC(O)(CNC(N)=O)CC1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)methylurea?
The InChIKey is WVJRAAAADDPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-2-4-9(13,5-3-7)6-11-8(10)12/h7,13H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of (1-hydroxy-4-methylcyclohexyl)methylurea?
(1-hydroxy-4-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-4-methylcyclohexyl)methylurea is sourced from PubChem (CID 65121718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).