(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride

C9H21ClN4O2 — CID 56642906

IUPAC(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCN(C)CCCNCCNC(=O)/C=N\O.Cl
InChIInChI=1S/C9H20N4O2.ClH/c1-13(2)7-3-4-10-5-6-11-9(14)8-12-15;/h8,10,15H,3-7H2,1-2H3,(H,11,14);1H/b12-8-;
InChIKeyNMGCDGVVCSCJOC-JCTPKUEWSA-N
MW252.75 g/mol
LogP-0.47
Rot. Bonds8

About (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride

(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride (PubChem CID 56642906) has the molecular formula C9H21ClN4O2 and a molecular weight of 252.75 g/mol. Its IUPAC name is (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride.

Molecular Properties

Compound Name(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
PubChem CID56642906
Molecular FormulaC9H21ClN4O2
Molecular Weight252.75 g/mol
Exact Mass252.14
IUPAC Name(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCN(C)CCCNCCNC(=O)/C=N\O.Cl
InChIInChI=1S/C9H20N4O2.ClH/c1-13(2)7-3-4-10-5-6-11-9(14)8-12-15;/h8,10,15H,3-7H2,1-2H3,(H,11,14);1H/b12-8-;
InChIKeyNMGCDGVVCSCJOC-JCTPKUEWSA-N
XLogP-0.47
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The IUPAC name of (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride (CID 56642906) is (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride.
What is the SMILES notation for (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The canonical SMILES for (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride is CN(C)CCCNCCNC(=O)/C=N\O.Cl.
What is the InChIKey of (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The InChIKey is NMGCDGVVCSCJOC-JCTPKUEWSA-N. The full InChI is InChI=1S/C9H20N4O2.ClH/c1-13(2)7-3-4-10-5-6-11-9(14)8-12-15;/h8,10,15H,3-7H2,1-2H3,(H,11,14);1H/b12-8-;.
What are the key properties of (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
(2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride is sourced from PubChem (CID 56642906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).