3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea

C7H17N3O2 — CID 81062243

IUPAC3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCN(C)C(=O)NN
InChIInChI=1S/C7H17N3O2/c1-6(2)12-5-4-10(3)7(11)9-8/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyAQNXLAMEIBUMPA-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.07
Rot. Bonds4

About 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea

3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea (PubChem CID 81062243) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
PubChem CID81062243
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCN(C)C(=O)NN
InChIInChI=1S/C7H17N3O2/c1-6(2)12-5-4-10(3)7(11)9-8/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyAQNXLAMEIBUMPA-UHFFFAOYSA-N
XLogP-0.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104882358
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104887509
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea (CID 81062243) is 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea is CC(C)OCCN(C)C(=O)NN.
What is the InChIKey of 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The InChIKey is AQNXLAMEIBUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-6(2)12-5-4-10(3)7(11)9-8/h6H,4-5,8H2,1-3H3,(H,9,11).
What are the key properties of 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea?
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea has a molecular weight of 175.23 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 81062243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).