ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine

C10H26N2O — CID 169182154

IUPACethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine
SMILESCC.CC(C)ON.CN1CCCC1
InChIInChI=1S/C5H11N.C3H9NO.C2H6/c1-6-4-2-3-5-6;1-3(2)5-4;1-2/h2-5H2,1H3;3H,4H2,1-2H3;1-2H3
InChIKeyPHKPWVPXQWITSC-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.02
Rot. Bonds1

About ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine

ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine (PubChem CID 169182154) has the molecular formula C10H26N2O and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine.

Molecular Properties

Compound Nameethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine
PubChem CID169182154
Molecular FormulaC10H26N2O
Molecular Weight190.33 g/mol
Exact Mass190.20
IUPAC Nameethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine
SMILESCC.CC(C)ON.CN1CCCC1
InChIInChI=1S/C5H11N.C3H9NO.C2H6/c1-6-4-2-3-5-6;1-3(2)5-4;1-2/h2-5H2,1H3;3H,4H2,1-2H3;1-2H3
InChIKeyPHKPWVPXQWITSC-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Propan-2-yloxymethyl)pyrrolidine
CID 13693945
O-[3-(pyrrolidin-1-yl)propyl]hydroxylamine
CID 14880864
O-(1-pyrrolidin-1-ylethyl)hydroxylamine
CID 20381850
O-(1-pyrrolidin-1-ylethyl)hydroxylamine;dihydrochloride
CID 21430665
1-(Propan-2-yloxymethyl)-1-propylpyrrolidin-1-ium
CID 66838702
1-Methyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
CID 66838713
1-Butyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
CID 66838740
1-Ethyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium
CID 66838795
O-(1-methylpyrrolidin-3-yl)hydroxylamine
CID 71653272
O-(1-propylpyrrolidin-3-yl)hydroxylamine
CID 84107100
(3S)-3-(aminooxy)-1-methylpyrrolidine
CID 86693984
1-Butan-2-yloxypyrrolidine
CID 89885528

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The IUPAC name of ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine (CID 169182154) is ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine.
What is the SMILES notation for ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The canonical SMILES for ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine is CC.CC(C)ON.CN1CCCC1.
What is the InChIKey of ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
The InChIKey is PHKPWVPXQWITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H9NO.C2H6/c1-6-4-2-3-5-6;1-3(2)5-4;1-2/h2-5H2,1H3;3H,4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine?
ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine has a molecular weight of 190.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine is sourced from PubChem (CID 169182154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).