(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium

C6H18N5O2+ — CID 136609317

IUPAC(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium
SMILESNCCCN(CCCN)/[N+](O)=N/O
InChIInChI=1S/C6H17N5O2/c7-3-1-5-10(6-2-4-8)11(13)9-12/h13H,1-8H2/p+1
InChIKeyOHUBVPQNFCHIBG-UHFFFAOYSA-O
MW192.24 g/mol
LogP-0.86
Rot. Bonds7

About (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium

(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium (PubChem CID 136609317) has the molecular formula C6H18N5O2+ and a molecular weight of 192.24 g/mol. Its IUPAC name is (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium.

Molecular Properties

Compound Name(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium
PubChem CID136609317
Molecular FormulaC6H18N5O2+
Molecular Weight192.24 g/mol
Exact Mass192.15
IUPAC Name(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium
SMILESNCCCN(CCCN)/[N+](O)=N/O
InChIInChI=1S/C6H17N5O2/c7-3-1-5-10(6-2-4-8)11(13)9-12/h13H,1-8H2/p+1
InChIKeyOHUBVPQNFCHIBG-UHFFFAOYSA-O
XLogP-0.86
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium?
The IUPAC name of (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium (CID 136609317) is (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium.
What is the SMILES notation for (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium?
The canonical SMILES for (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium is NCCCN(CCCN)/[N+](O)=N/O.
What is the InChIKey of (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium?
The InChIKey is OHUBVPQNFCHIBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H17N5O2/c7-3-1-5-10(6-2-4-8)11(13)9-12/h13H,1-8H2/p+1.
What are the key properties of (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium?
(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium has a molecular weight of 192.24 g/mol, XLogP of -0.86, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium is sourced from PubChem (CID 136609317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).