O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride

C9H24Cl2N2O — CID 86737967

IUPACO-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
SMILESCC(C)N(CCCON)C(C)C.Cl.Cl
InChIInChI=1S/C9H22N2O.2ClH/c1-8(2)11(9(3)4)6-5-7-12-10;;/h8-9H,5-7,10H2,1-4H3;2*1H
InChIKeyMPSCWZFDRCEEEO-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.23
Rot. Bonds6

About O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride

O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride (PubChem CID 86737967) has the molecular formula C9H24Cl2N2O and a molecular weight of 247.21 g/mol. Its IUPAC name is O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
PubChem CID86737967
Molecular FormulaC9H24Cl2N2O
Molecular Weight247.21 g/mol
Exact Mass246.13
IUPAC NameO-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
SMILESCC(C)N(CCCON)C(C)C.Cl.Cl
InChIInChI=1S/C9H22N2O.2ClH/c1-8(2)11(9(3)4)6-5-7-12-10;;/h8-9H,5-7,10H2,1-4H3;2*1H
InChIKeyMPSCWZFDRCEEEO-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride?
The IUPAC name of O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride (CID 86737967) is O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride.
What is the SMILES notation for O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride?
The canonical SMILES for O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride is CC(C)N(CCCON)C(C)C.Cl.Cl.
What is the InChIKey of O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride?
The InChIKey is MPSCWZFDRCEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.2ClH/c1-8(2)11(9(3)4)6-5-7-12-10;;/h8-9H,5-7,10H2,1-4H3;2*1H.
What are the key properties of O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride?
O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride has a molecular weight of 247.21 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride is sourced from PubChem (CID 86737967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).