O-[3-(propan-2-ylamino)propyl]hydroxylamine

C6H16N2O — CID 143003444

IUPACO-[3-(propan-2-ylamino)propyl]hydroxylamine
SMILESCC(C)NCCCON
InChIInChI=1S/C6H16N2O/c1-6(2)8-4-3-5-9-7/h6,8H,3-5,7H2,1-2H3
InChIKeyZLBJQSXLFTVMSD-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.26
Rot. Bonds5

About O-[3-(propan-2-ylamino)propyl]hydroxylamine

O-[3-(propan-2-ylamino)propyl]hydroxylamine (PubChem CID 143003444) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is O-[3-(propan-2-ylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(propan-2-ylamino)propyl]hydroxylamine
PubChem CID143003444
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameO-[3-(propan-2-ylamino)propyl]hydroxylamine
SMILESCC(C)NCCCON
InChIInChI=1S/C6H16N2O/c1-6(2)8-4-3-5-9-7/h6,8H,3-5,7H2,1-2H3
InChIKeyZLBJQSXLFTVMSD-UHFFFAOYSA-N
XLogP0.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[3-(propan-2-ylamino)propyl]hydroxylamine?
The IUPAC name of O-[3-(propan-2-ylamino)propyl]hydroxylamine (CID 143003444) is O-[3-(propan-2-ylamino)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(propan-2-ylamino)propyl]hydroxylamine?
The canonical SMILES for O-[3-(propan-2-ylamino)propyl]hydroxylamine is CC(C)NCCCON.
What is the InChIKey of O-[3-(propan-2-ylamino)propyl]hydroxylamine?
The InChIKey is ZLBJQSXLFTVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(2)8-4-3-5-9-7/h6,8H,3-5,7H2,1-2H3.
What are the key properties of O-[3-(propan-2-ylamino)propyl]hydroxylamine?
O-[3-(propan-2-ylamino)propyl]hydroxylamine has a molecular weight of 132.21 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(propan-2-ylamino)propyl]hydroxylamine is sourced from PubChem (CID 143003444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).