O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine

C9H20N2O — CID 163456372

IUPACO-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine
SMILESC/C=N/C(C)(CC)C(C)(C)ON
InChIInChI=1S/C9H20N2O/c1-6-9(5,11-7-2)8(3,4)12-10/h7H,6,10H2,1-5H3/b11-7+
InChIKeyBKVOTPSDFMLBIP-YRNVUSSQSA-N
MW172.27 g/mol
LogP1.91
Rot. Bonds4

About O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine

O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine (PubChem CID 163456372) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine
PubChem CID163456372
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameO-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine
SMILESC/C=N/C(C)(CC)C(C)(C)ON
InChIInChI=1S/C9H20N2O/c1-6-9(5,11-7-2)8(3,4)12-10/h7H,6,10H2,1-5H3/b11-7+
InChIKeyBKVOTPSDFMLBIP-YRNVUSSQSA-N
XLogP1.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine?
The IUPAC name of O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine (CID 163456372) is O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine.
What is the SMILES notation for O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine?
The canonical SMILES for O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine is C/C=N/C(C)(CC)C(C)(C)ON.
What is the InChIKey of O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine?
The InChIKey is BKVOTPSDFMLBIP-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-9(5,11-7-2)8(3,4)12-10/h7H,6,10H2,1-5H3/b11-7+.
What are the key properties of O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine?
O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(ethylideneamino)-2,3-dimethylpentan-2-yl]hydroxylamine is sourced from PubChem (CID 163456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).