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

C11H26Cl2N4O2 — CID 163331599

IUPAC(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
SMILESCN(C)CCCN(C)CCCNC(=O)/C=N/O.Cl.Cl
InChIInChI=1S/C11H24N4O2.2ClH/c1-14(2)7-5-9-15(3)8-4-6-12-11(16)10-13-17;;/h10,17H,4-9H2,1-3H3,(H,12,16);2*1H/b13-10+;;
InChIKeyMXDICCKRGROUDJ-JFXLULTRSA-N
MW317.26 g/mol
LogP0.68
Rot. Bonds9

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

(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride (PubChem CID 163331599) has the molecular formula C11H26Cl2N4O2 and a molecular weight of 317.26 g/mol. Its IUPAC name is (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride.

Molecular Properties

Compound Name(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
PubChem CID163331599
Molecular FormulaC11H26Cl2N4O2
Molecular Weight317.26 g/mol
Exact Mass316.14
IUPAC Name(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
SMILESCN(C)CCCN(C)CCCNC(=O)/C=N/O.Cl.Cl
InChIInChI=1S/C11H24N4O2.2ClH/c1-14(2)7-5-9-15(3)8-4-6-12-11(16)10-13-17;;/h10,17H,4-9H2,1-3H3,(H,12,16);2*1H/b13-10+;;
InChIKeyMXDICCKRGROUDJ-JFXLULTRSA-N
XLogP0.68
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
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
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride?
The IUPAC name of (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride (CID 163331599) is (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride.
What is the SMILES notation for (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride?
The canonical SMILES for (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride is CN(C)CCCN(C)CCCNC(=O)/C=N/O.Cl.Cl.
What is the InChIKey of (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride?
The InChIKey is MXDICCKRGROUDJ-JFXLULTRSA-N. The full InChI is InChI=1S/C11H24N4O2.2ClH/c1-14(2)7-5-9-15(3)8-4-6-12-11(16)10-13-17;;/h10,17H,4-9H2,1-3H3,(H,12,16);2*1H/b13-10+;;.
What are the key properties of (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride?
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride has a molecular weight of 317.26 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride is sourced from PubChem (CID 163331599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).