imino-oxido-[propan-2-yl(propyl)amino]azanium

C6H15N3O — CID 144890018

IUPACimino-oxido-[propan-2-yl(propyl)amino]azanium
SMILES[H]/N=[N+](\[O-])N(CCC)C(C)C
InChIInChI=1S/C6H15N3O/c1-4-5-8(6(2)3)9(7)10/h6-7H,4-5H2,1-3H3/b9-7-
InChIKeyXYXWATPODGRMCC-CLFYSBASSA-N
MW145.21 g/mol
LogP1.56
Rot. Bonds4

About imino-oxido-[propan-2-yl(propyl)amino]azanium

imino-oxido-[propan-2-yl(propyl)amino]azanium (PubChem CID 144890018) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is imino-oxido-[propan-2-yl(propyl)amino]azanium.

Molecular Properties

Compound Nameimino-oxido-[propan-2-yl(propyl)amino]azanium
PubChem CID144890018
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Nameimino-oxido-[propan-2-yl(propyl)amino]azanium
SMILES[H]/N=[N+](\[O-])N(CCC)C(C)C
InChIInChI=1S/C6H15N3O/c1-4-5-8(6(2)3)9(7)10/h6-7H,4-5H2,1-3H3/b9-7-
InChIKeyXYXWATPODGRMCC-CLFYSBASSA-N
XLogP1.56
TPSA53.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 imino-oxido-[propan-2-yl(propyl)amino]azanium?
The IUPAC name of imino-oxido-[propan-2-yl(propyl)amino]azanium (CID 144890018) is imino-oxido-[propan-2-yl(propyl)amino]azanium.
What is the SMILES notation for imino-oxido-[propan-2-yl(propyl)amino]azanium?
The canonical SMILES for imino-oxido-[propan-2-yl(propyl)amino]azanium is [H]/N=[N+](\[O-])N(CCC)C(C)C.
What is the InChIKey of imino-oxido-[propan-2-yl(propyl)amino]azanium?
The InChIKey is XYXWATPODGRMCC-CLFYSBASSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4-5-8(6(2)3)9(7)10/h6-7H,4-5H2,1-3H3/b9-7-.
What are the key properties of imino-oxido-[propan-2-yl(propyl)amino]azanium?
imino-oxido-[propan-2-yl(propyl)amino]azanium has a molecular weight of 145.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxido-[propan-2-yl(propyl)amino]azanium is sourced from PubChem (CID 144890018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).