ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine

C9H22N2O — CID 168977027

IUPACethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
SMILESC=C(N)OC.CC.CC(C)=CN
InChIInChI=1S/C4H9N.C3H7NO.C2H6/c1-4(2)3-5;1-3(4)5-2;1-2/h3H,5H2,1-2H3;1,4H2,2H3;1-2H3
InChIKeyWCCPPLNLCVSOAQ-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.96
Rot. Bonds1

About ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine

ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine (PubChem CID 168977027) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
PubChem CID168977027
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
SMILESC=C(N)OC.CC.CC(C)=CN
InChIInChI=1S/C4H9N.C3H7NO.C2H6/c1-4(2)3-5;1-3(4)5-2;1-2/h3H,5H2,1-2H3;1,4H2,2H3;1-2H3
InChIKeyWCCPPLNLCVSOAQ-UHFFFAOYSA-N
XLogP1.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine?
The IUPAC name of ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine (CID 168977027) is ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine.
What is the SMILES notation for ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine?
The canonical SMILES for ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine is C=C(N)OC.CC.CC(C)=CN.
What is the InChIKey of ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine?
The InChIKey is WCCPPLNLCVSOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H7NO.C2H6/c1-4(2)3-5;1-3(4)5-2;1-2/h3H,5H2,1-2H3;1,4H2,2H3;1-2H3.
What are the key properties of ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine?
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine has a molecular weight of 174.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine is sourced from PubChem (CID 168977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).