ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine

C9H21NO — CID 143610027

IUPACethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
SMILESCC.CCO/C(C)=C(/C)NC
InChIInChI=1S/C7H15NO.C2H6/c1-5-9-7(3)6(2)8-4;1-2/h8H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyXFELQWGWQQCLBQ-NAFXZHHSSA-N
MW159.27 g/mol
LogP2.52
Rot. Bonds3

About ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine

ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine (PubChem CID 143610027) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
PubChem CID143610027
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
SMILESCC.CCO/C(C)=C(/C)NC
InChIInChI=1S/C7H15NO.C2H6/c1-5-9-7(3)6(2)8-4;1-2/h8H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyXFELQWGWQQCLBQ-NAFXZHHSSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.52
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

5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;ethane
CID 91088359
(4Z)-4,5-dimethyl-2,3,7,8,9,10-hexahydro-1,6,3-dioxazecine
CID 118586820
(E)-2-methoxy-N-methyloct-2-en-4-yn-3-amine
CID 130254038
3-methoxy-N-methylbut-2-en-2-amine
CID 140101356
N-ethyl-3-methoxybut-2-en-2-amine
CID 140101396
ethane;(Z)-N-ethyl-3-methoxybut-2-en-2-amine
CID 141784323
(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 142107296
ethane;(Z)-3-ethoxybut-2-en-2-amine
CID 143750763
Ethane;2,4,5-trimethyl-2,3-dihydro-1,3-oxazole
CID 144496950
(E)-3-propoxy-N-propylbut-2-en-2-amine
CID 145202328
5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane
CID 177233343
(Z)-N-ethyl-3-methoxybut-2-en-2-amine
CID 141784324

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine?
The IUPAC name of ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine (CID 143610027) is ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine?
The canonical SMILES for ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine is CC.CCO/C(C)=C(/C)NC.
What is the InChIKey of ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine?
The InChIKey is XFELQWGWQQCLBQ-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-5-9-7(3)6(2)8-4;1-2/h8H,5H2,1-4H3;1-2H3/b7-6-;.
What are the key properties of ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine?
ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine is sourced from PubChem (CID 143610027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).