1-methyl-3-[(1-methylcyclobutyl)methyl]urea

C8H16N2O — CID 103735098

IUPAC1-methyl-3-[(1-methylcyclobutyl)methyl]urea
SMILESCNC(=O)NCC1(C)CCC1
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyJADGUVSECYTLPA-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.11
Rot. Bonds2

About 1-methyl-3-[(1-methylcyclobutyl)methyl]urea

1-methyl-3-[(1-methylcyclobutyl)methyl]urea (PubChem CID 103735098) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1-methylcyclobutyl)methyl]urea
PubChem CID103735098
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-3-[(1-methylcyclobutyl)methyl]urea
SMILESCNC(=O)NCC1(C)CCC1
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyJADGUVSECYTLPA-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
2-hydroxy-2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 106509809
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
CID 106110688
1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
CID 103736201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylcyclobutyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1-methylcyclobutyl)methyl]urea (CID 103735098) is 1-methyl-3-[(1-methylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1-methylcyclobutyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1-methylcyclobutyl)methyl]urea is CNC(=O)NCC1(C)CCC1.
What is the InChIKey of 1-methyl-3-[(1-methylcyclobutyl)methyl]urea?
The InChIKey is JADGUVSECYTLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(4-3-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-methyl-3-[(1-methylcyclobutyl)methyl]urea?
1-methyl-3-[(1-methylcyclobutyl)methyl]urea has a molecular weight of 156.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylcyclobutyl)methyl]urea is sourced from PubChem (CID 103735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).