1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea

C11H21N3O — CID 115267566

IUPAC1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
SMILESCNCC1(CNC(=O)NC2CC2)CCC1
InChIInChI=1S/C11H21N3O/c1-12-7-11(5-2-6-11)8-13-10(15)14-9-3-4-9/h9,12H,2-8H2,1H3,(H2,13,14,15)
InChIKeyMAGJQPROPPIACH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.84
Rot. Bonds5

About 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea

1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea (PubChem CID 115267566) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
PubChem CID115267566
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
SMILESCNCC1(CNC(=O)NC2CC2)CCC1
InChIInChI=1S/C11H21N3O/c1-12-7-11(5-2-6-11)8-13-10(15)14-9-3-4-9/h9,12H,2-8H2,1H3,(H2,13,14,15)
InChIKeyMAGJQPROPPIACH-UHFFFAOYSA-N
XLogP0.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
CID 115267413
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150
1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
CID 103839051
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024696
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea (CID 115267566) is 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea is CNCC1(CNC(=O)NC2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea?
The InChIKey is MAGJQPROPPIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-12-7-11(5-2-6-11)8-13-10(15)14-9-3-4-9/h9,12H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea?
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea has a molecular weight of 211.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 115267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).