(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide

C7H15N3O2 — CID 6878648

IUPAC(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNC(=O)/C=N/O
InChIInChI=1S/C7H15N3O2/c1-10(2)5-3-4-8-7(11)6-9-12/h6,12H,3-5H2,1-2H3,(H,8,11)/b9-6+
InChIKeyKXUUSWWZIUKVHH-RMKNXTFCSA-N
MW173.22 g/mol
LogP-0.49
Rot. Bonds5

About (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide

(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide (PubChem CID 6878648) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide
PubChem CID6878648
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNC(=O)/C=N/O
InChIInChI=1S/C7H15N3O2/c1-10(2)5-3-4-8-7(11)6-9-12/h6,12H,3-5H2,1-2H3,(H,8,11)/b9-6+
InChIKeyKXUUSWWZIUKVHH-RMKNXTFCSA-N
XLogP-0.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide (CID 6878648) is (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide is CN(C)CCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide?
The InChIKey is KXUUSWWZIUKVHH-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-10(2)5-3-4-8-7(11)6-9-12/h6,12H,3-5H2,1-2H3,(H,8,11)/b9-6+.
What are the key properties of (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide?
(2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide has a molecular weight of 173.22 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[3-(dimethylamino)propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 6878648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).