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

C6H15NO — CID 143631122

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

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

ethane;(Z)-1-methoxyprop-1-en-2-amine (PubChem CID 143631122) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is ethane;(Z)-1-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1-methoxyprop-1-en-2-amine
PubChem CID143631122
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameethane;(Z)-1-methoxyprop-1-en-2-amine
SMILESCC.CO/C=C(/C)N
InChIInChI=1S/C4H9NO.C2H6/c1-4(5)3-6-2;1-2/h3H,5H2,1-2H3;1-2H3/b4-3-;
InChIKeyQXEJKRIBVKAZMV-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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Related Compounds

(E)-1-methoxyprop-1-en-2-amine
CID 143063375
O-[(Z)-2-aminoprop-1-enyl]hydroxylamine
CID 144691333
1-methoxy-2-methylprop-1-ene
CID 551188
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
1-methoxy-2-methylbuta-1,3-diene
CID 54143259
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475
N-(1-methoxyprop-1-en-2-yl)propan-2-imine
CID 91052997
azane;ethane;molecular hydrogen;(Z)-prop-1-ene-1,2-diamine
CID 143676044
(Z)-but-2-en-2-amine;ethane;ethenamine
CID 143379680
[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
CID 3032918
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-methoxyprop-1-en-2-amine?
The IUPAC name of ethane;(Z)-1-methoxyprop-1-en-2-amine (CID 143631122) is ethane;(Z)-1-methoxyprop-1-en-2-amine.
What is the SMILES notation for ethane;(Z)-1-methoxyprop-1-en-2-amine?
The canonical SMILES for ethane;(Z)-1-methoxyprop-1-en-2-amine is CC.CO/C=C(/C)N.
What is the InChIKey of ethane;(Z)-1-methoxyprop-1-en-2-amine?
The InChIKey is QXEJKRIBVKAZMV-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H9NO.C2H6/c1-4(5)3-6-2;1-2/h3H,5H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;(Z)-1-methoxyprop-1-en-2-amine?
ethane;(Z)-1-methoxyprop-1-en-2-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)-1-methoxyprop-1-en-2-amine is sourced from PubChem (CID 143631122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).