ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine

C8H19NO — CID 144518306

IUPACethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine
SMILESCC.CC/C(=C/OC)NC
InChIInChI=1S/C6H13NO.C2H6/c1-4-6(7-2)5-8-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyHZLJQXZXIQRZTB-YSMBQZINSA-N
MW145.25 g/mol
LogP2.13
Rot. Bonds3

About ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine

ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine (PubChem CID 144518306) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine
PubChem CID144518306
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine
SMILESCC.CC/C(=C/OC)NC
InChIInChI=1S/C6H13NO.C2H6/c1-4-6(7-2)5-8-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyHZLJQXZXIQRZTB-YSMBQZINSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.13
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)-1-methoxy-N-methylbut-1-en-2-amine?
The IUPAC name of ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine (CID 144518306) is ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine.
What is the SMILES notation for ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine?
The canonical SMILES for ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine is CC.CC/C(=C/OC)NC.
What is the InChIKey of ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine?
The InChIKey is HZLJQXZXIQRZTB-YSMBQZINSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-4-6(7-2)5-8-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine?
ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine has a molecular weight of 145.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine is sourced from PubChem (CID 144518306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).