3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide

C7H19N3O — CID 59660222

IUPAC3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide
SMILESC[N+]([O-])(CCCN)CCCN
InChIInChI=1S/C7H19N3O/c1-10(11,6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKeyRFSRGMAGJHVYJS-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.37
Rot. Bonds6

About 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide

3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide (PubChem CID 59660222) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide.

Molecular Properties

Compound Name3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide
PubChem CID59660222
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC Name3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide
SMILESC[N+]([O-])(CCCN)CCCN
InChIInChI=1S/C7H19N3O/c1-10(11,6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKeyRFSRGMAGJHVYJS-UHFFFAOYSA-N
XLogP-0.37
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide?
The IUPAC name of 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide (CID 59660222) is 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide.
What is the SMILES notation for 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide?
The canonical SMILES for 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide is C[N+]([O-])(CCCN)CCCN.
What is the InChIKey of 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide?
The InChIKey is RFSRGMAGJHVYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O/c1-10(11,6-2-4-8)7-3-5-9/h2-9H2,1H3.
What are the key properties of 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide?
3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide has a molecular weight of 161.25 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide is sourced from PubChem (CID 59660222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).