1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea

C16H30N2O — CID 112837928

IUPAC1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)N(C)CC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13-7-6-10-15(11-13)17-16(19)18(2)12-14-8-4-3-5-9-14/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyCOHCOPSVYYVLQJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds3

About 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea

1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea (PubChem CID 112837928) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
PubChem CID112837928
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)N(C)CC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13-7-6-10-15(11-13)17-16(19)18(2)12-14-8-4-3-5-9-14/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyCOHCOPSVYYVLQJ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797
(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea (CID 112837928) is 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)N(C)CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea?
The InChIKey is COHCOPSVYYVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-7-6-10-15(11-13)17-16(19)18(2)12-14-8-4-3-5-9-14/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea?
1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea has a molecular weight of 266.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 112837928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).