(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium

C10H26N6O2 — CID 135503538

IUPAC(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
SMILESNCCCNCCCCN(CCCN)/[N+]([O-])=N\O
InChIInChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,17H,1-12H2/b16-14+
InChIKeySTVYBUMQUAJDER-JQIJEIRASA-N
MW262.36 g/mol
LogP-0.38
Rot. Bonds12

About (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium

(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium (PubChem CID 135503538) has the molecular formula C10H26N6O2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
PubChem CID135503538
Molecular FormulaC10H26N6O2
Molecular Weight262.36 g/mol
Exact Mass262.21
IUPAC Name(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
SMILESNCCCNCCCCN(CCCN)/[N+]([O-])=N\O
InChIInChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,17H,1-12H2/b16-14+
InChIKeySTVYBUMQUAJDER-JQIJEIRASA-N
XLogP-0.38
TPSA125.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium
CID 136854533
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
CID 24885815
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium
CID 136609317

Frequently Asked Questions

What is the IUPAC name of (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium?
The IUPAC name of (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium (CID 135503538) is (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium is NCCCNCCCCN(CCCN)/[N+]([O-])=N\O.
What is the InChIKey of (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium?
The InChIKey is STVYBUMQUAJDER-JQIJEIRASA-N. The full InChI is InChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,17H,1-12H2/b16-14+.
What are the key properties of (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium?
(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium has a molecular weight of 262.36 g/mol, XLogP of -0.38, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 135503538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).