3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea

C9H19N3O — CID 103352663

IUPAC3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC1(N)CCC1
InChIInChI=1S/C9H19N3O/c1-3-12(2)8(13)11-7-9(10)5-4-6-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyWCJZHXLLGZPRRL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

About 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea

3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea (PubChem CID 103352663) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea
PubChem CID103352663
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC1(N)CCC1
InChIInChI=1S/C9H19N3O/c1-3-12(2)8(13)11-7-9(10)5-4-6-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyWCJZHXLLGZPRRL-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
CID 103767932
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
(1-aminocyclohexyl)methylurea
CID 61298669
N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
CID 130763031
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
3-amino-1-ethyl-1-methylurea
CID 43263702
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea (CID 103352663) is 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCC1(N)CCC1.
What is the InChIKey of 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea?
The InChIKey is WCJZHXLLGZPRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-12(2)8(13)11-7-9(10)5-4-6-9/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea?
3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 103352663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).