(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one

C10H21N3O2 — CID 51713838

IUPAC(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
SMILESCN(C)CCCNCCCC(=O)/C=N\O
InChIInChI=1S/C10H21N3O2/c1-13(2)8-4-7-11-6-3-5-10(14)9-12-15/h9,11,15H,3-8H2,1-2H3/b12-9-
InChIKeyHBXWCPNWRYDOIL-XFXZXTDPSA-N
MW215.30 g/mol
LogP0.34
Rot. Bonds9

About (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one

(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one (PubChem CID 51713838) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one.

Molecular Properties

Compound Name(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
PubChem CID51713838
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
SMILESCN(C)CCCNCCCC(=O)/C=N\O
InChIInChI=1S/C10H21N3O2/c1-13(2)8-4-7-11-6-3-5-10(14)9-12-15/h9,11,15H,3-8H2,1-2H3/b12-9-
InChIKeyHBXWCPNWRYDOIL-XFXZXTDPSA-N
XLogP0.34
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.34
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

(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
CID 172954738
propan-2-yl 4-[3-(dimethylamino)propylamino]butanoate
CID 176847229
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one?
The IUPAC name of (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one (CID 51713838) is (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one.
What is the SMILES notation for (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one?
The canonical SMILES for (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one is CN(C)CCCNCCCC(=O)/C=N\O.
What is the InChIKey of (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one?
The InChIKey is HBXWCPNWRYDOIL-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(2)8-4-7-11-6-3-5-10(14)9-12-15/h9,11,15H,3-8H2,1-2H3/b12-9-.
What are the key properties of (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one?
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one has a molecular weight of 215.30 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one is sourced from PubChem (CID 51713838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).