hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium

C5H14N4O2 — CID 135521196

IUPAChydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
SMILESCNCCCN(C)[N+]([O-])=NO
InChIInChI=1S/C5H14N4O2/c1-6-4-3-5-8(2)9(11)7-10/h6,10H,3-5H2,1-2H3
InChIKeyBPBUJYBQUBMWDT-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.21
Rot. Bonds5

About hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium

hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium (PubChem CID 135521196) has the molecular formula C5H14N4O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium.

Molecular Properties

Compound Namehydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
PubChem CID135521196
Molecular FormulaC5H14N4O2
Molecular Weight162.19 g/mol
Exact Mass162.11
IUPAC Namehydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
SMILESCNCCCN(C)[N+]([O-])=NO
InChIInChI=1S/C5H14N4O2/c1-6-4-3-5-8(2)9(11)7-10/h6,10H,3-5H2,1-2H3
InChIKeyBPBUJYBQUBMWDT-UHFFFAOYSA-N
XLogP-0.21
TPSA73.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
CID 103514245
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
CID 112617466
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
CID 82850479

Frequently Asked Questions

What is the IUPAC name of hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium?
The IUPAC name of hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium (CID 135521196) is hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium.
What is the SMILES notation for hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium?
The canonical SMILES for hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium is CNCCCN(C)[N+]([O-])=NO.
What is the InChIKey of hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium?
The InChIKey is BPBUJYBQUBMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2/c1-6-4-3-5-8(2)9(11)7-10/h6,10H,3-5H2,1-2H3.
What are the key properties of hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium?
hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium has a molecular weight of 162.19 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium is sourced from PubChem (CID 135521196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).