3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea

C8H18N4O2 — CID 79154540

IUPAC3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
SMILESCCC(C)(NC(=O)N(C)C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5-8(2,6(9)11-14)10-7(13)12(3)4/h14H,5H2,1-4H3,(H2,9,11)(H,10,13)
InChIKeyFAKFCBQWKXLURX-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.17
Rot. Bonds3

About 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea

3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea (PubChem CID 79154540) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
PubChem CID79154540
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
SMILESCCC(C)(NC(=O)N(C)C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5-8(2,6(9)11-14)10-7(13)12(3)4/h14H,5H2,1-4H3,(H2,9,11)(H,10,13)
InChIKeyFAKFCBQWKXLURX-UHFFFAOYSA-N
XLogP0.17
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea (CID 79154540) is 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea is CCC(C)(NC(=O)N(C)C)C(N)=NO.
What is the InChIKey of 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea?
The InChIKey is FAKFCBQWKXLURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-5-8(2,6(9)11-14)10-7(13)12(3)4/h14H,5H2,1-4H3,(H2,9,11)(H,10,13).
What are the key properties of 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea?
3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea has a molecular weight of 202.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 79154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).