ethane;(Z)-2-methoxyprop-1-en-1-amine

C6H15NO — CID 143798322

IUPACethane;(Z)-2-methoxyprop-1-en-1-amine
SMILESCC.CO/C(C)=C\N
InChIInChI=1S/C4H9NO.C2H6/c1-4(3-5)6-2;1-2/h3H,5H2,1-2H3;1-2H3/b4-3-;
InChIKeyCDANGPWZOZHRAM-LNKPDPKZSA-N
MW117.19 g/mol
LogP1.48
Rot. Bonds1

About ethane;(Z)-2-methoxyprop-1-en-1-amine

ethane;(Z)-2-methoxyprop-1-en-1-amine (PubChem CID 143798322) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is ethane;(Z)-2-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-methoxyprop-1-en-1-amine
PubChem CID143798322
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameethane;(Z)-2-methoxyprop-1-en-1-amine
SMILESCC.CO/C(C)=C\N
InChIInChI=1S/C4H9NO.C2H6/c1-4(3-5)6-2;1-2/h3H,5H2,1-2H3;1-2H3/b4-3-;
InChIKeyCDANGPWZOZHRAM-LNKPDPKZSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;(Z)-2-methoxyprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-methoxyprop-1-en-1-amine (CID 143798322) is ethane;(Z)-2-methoxyprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-methoxyprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-methoxyprop-1-en-1-amine is CC.CO/C(C)=C\N.
What is the InChIKey of ethane;(Z)-2-methoxyprop-1-en-1-amine?
The InChIKey is CDANGPWZOZHRAM-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H9NO.C2H6/c1-4(3-5)6-2;1-2/h3H,5H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;(Z)-2-methoxyprop-1-en-1-amine?
ethane;(Z)-2-methoxyprop-1-en-1-amine has a molecular weight of 117.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methoxyprop-1-en-1-amine is sourced from PubChem (CID 143798322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).