(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide

C6H13N3O2 — CID 6407354

IUPAC(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)/C=N\O
InChIInChI=1S/C6H13N3O2/c1-7-3-2-4-8-6(10)5-9-11/h5,7,11H,2-4H2,1H3,(H,8,10)/b9-5-
InChIKeyCJCPPWFKRIQBCP-UITAMQMPSA-N
MW159.19 g/mol
LogP-0.83
Rot. Bonds5

About (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide

(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide (PubChem CID 6407354) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
PubChem CID6407354
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)/C=N\O
InChIInChI=1S/C6H13N3O2/c1-7-3-2-4-8-6(10)5-9-11/h5,7,11H,2-4H2,1H3,(H,8,10)/b9-5-
InChIKeyCJCPPWFKRIQBCP-UITAMQMPSA-N
XLogP-0.83
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
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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Related Compounds

N-(3-{[4-(dimethylamino)butyl]amino}propyl)-2-(hydroxyimino)acetamide
CID 6408176
N-(3-{[5-(Dimethylamino)pentyl]amino}propyl)-2-(hydroxyimino)acetamide
CID 6408178
N-(2-{[3-(dimethylamino)propyl]amino}ethyl)-2-(hydroxyimino)acetamide dihydrochloride
CID 56642906
N-(3-{[3-(dimethylamino)propyl]amino}propyl)-2-(hydroxyimino)acetamide
CID 6410067
(2E)-N-[3-(dimethylamino)propyl]-2-(hydroxyimino)ethanamide
CID 6878648
(2E)-N-(4-{[3-(dimethylamino)propyl]amino}butyl)-2-(hydroxyimino)ethanamide
CID 6887094
(2E)-N-[2-(dimethylamino)ethyl]-2-(hydroxyimino)ethanamide
CID 9614845
(2Z)-N-(5-aminopentyl)-2-(hydroxyimino)acetamide
CID 20836596
(2E)-N-(2-aminoethyl)-2-hydroxyiminoacetamide
CID 55288976
N-(3-aminopropyl)-N-hydroxyacetamide
CID 25201398
(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide
CID 16759091
2-hydroxyimino-N-[4-[(2-hydroxyiminoacetyl)amino]butyl]acetamide
CID 49858983

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide (CID 6407354) is (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)/C=N\O.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide?
The InChIKey is CJCPPWFKRIQBCP-UITAMQMPSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-7-3-2-4-8-6(10)5-9-11/h5,7,11H,2-4H2,1H3,(H,8,10)/b9-5-.
What are the key properties of (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide?
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 6407354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).