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

C9H21ClN4O2 — CID 11958871

IUPACN-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCN(C)CCCNCCNC(=O)C=NO.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
InChIKeyNMGCDGVVCSCJOC-UHFFFAOYSA-N
MW252.75 g/mol
LogP-0.47
Rot. Bonds8

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

N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride (PubChem CID 11958871) has the molecular formula C9H21ClN4O2 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
PubChem CID11958871
Molecular FormulaC9H21ClN4O2
Molecular Weight252.75 g/mol
Exact Mass252.14
IUPAC NameN-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
SMILESCN(C)CCCNCCNC(=O)C=NO.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
InChIKeyNMGCDGVVCSCJOC-UHFFFAOYSA-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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Related Compounds

N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The IUPAC name of N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride (CID 11958871) is N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The canonical SMILES for N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride is CN(C)CCCNCCNC(=O)C=NO.Cl.
What is the InChIKey of N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
The InChIKey is NMGCDGVVCSCJOC-UHFFFAOYSA-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.
What are the key properties of N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride?
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 N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride is sourced from PubChem (CID 11958871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).