(2-methylcyclohexyl)urea

C8H16N2O — CID 3345444

IUPAC(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(N)=O
InChIInChI=1S/C8H16N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)
InChIKeyGDWADZHNEJCBKQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.23
Rot. Bonds1

About (2-methylcyclohexyl)urea

(2-methylcyclohexyl)urea (PubChem CID 3345444) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2-methylcyclohexyl)urea.

Molecular Properties

Compound Name(2-methylcyclohexyl)urea
PubChem CID3345444
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(N)=O
InChIInChI=1S/C8H16N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)
InChIKeyGDWADZHNEJCBKQ-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopentyl)urea
CID 63281869
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
2-methyl-1-(2-methylcyclohexyl)guanidine
CID 62359337
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(1,2-dimethylpiperidin-3-yl)urea
CID 127013120
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
2-methoxy-2-methyl-N-(2-methylcycloheptyl)propanamide
CID 103714354

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)urea?
The IUPAC name of (2-methylcyclohexyl)urea (CID 3345444) is (2-methylcyclohexyl)urea.
What is the SMILES notation for (2-methylcyclohexyl)urea?
The canonical SMILES for (2-methylcyclohexyl)urea is CC1CCCCC1NC(N)=O.
What is the InChIKey of (2-methylcyclohexyl)urea?
The InChIKey is GDWADZHNEJCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of (2-methylcyclohexyl)urea?
(2-methylcyclohexyl)urea has a molecular weight of 156.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)urea is sourced from PubChem (CID 3345444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).