3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea

C7H16N4O2 — CID 79163045

IUPAC3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCC(N)=NO
InChIInChI=1S/C7H16N4O2/c1-3-11(2)7(12)9-5-4-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyALIKMVRPYYHRKU-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.22
Rot. Bonds4

About 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea

3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea (PubChem CID 79163045) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea
PubChem CID79163045
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCC(N)=NO
InChIInChI=1S/C7H16N4O2/c1-3-11(2)7(12)9-5-4-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyALIKMVRPYYHRKU-UHFFFAOYSA-N
XLogP-0.22
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
1-(3-amino-3-hydroxyiminopropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858927
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
3-amino-1-ethyl-1-methylurea
CID 43263702
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
3-(cyanomethyl)-1-ethyl-1-methylurea
CID 79160219

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea (CID 79163045) is 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea is CCN(C)C(=O)NCCC(N)=NO.
What is the InChIKey of 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea?
The InChIKey is ALIKMVRPYYHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-3-11(2)7(12)9-5-4-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12).
What are the key properties of 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea?
3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea has a molecular weight of 188.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79163045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).