ethane;(Z)-3-ethoxybut-2-en-2-amine

C10H25NO — CID 143750763

IUPACethane;(Z)-3-ethoxybut-2-en-2-amine
SMILESCC.CC.CCO/C(C)=C(/C)N
InChIInChI=1S/C6H13NO.2C2H6/c1-4-8-6(3)5(2)7;2*1-2/h4,7H2,1-3H3;2*1-2H3/b6-5-;;
InChIKeyODTVRRMEBYOVAW-XNOMRPDFSA-N
MW175.32 g/mol
LogP3.29
Rot. Bonds2

About ethane;(Z)-3-ethoxybut-2-en-2-amine

ethane;(Z)-3-ethoxybut-2-en-2-amine (PubChem CID 143750763) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;(Z)-3-ethoxybut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethoxybut-2-en-2-amine
PubChem CID143750763
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;(Z)-3-ethoxybut-2-en-2-amine
SMILESCC.CC.CCO/C(C)=C(/C)N
InChIInChI=1S/C6H13NO.2C2H6/c1-4-8-6(3)5(2)7;2*1-2/h4,7H2,1-3H3;2*1-2H3/b6-5-;;
InChIKeyODTVRRMEBYOVAW-XNOMRPDFSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 53.29
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

(Z)-3-[(Z)-3-aminobut-2-en-2-yl]oxybut-2-en-2-amine
CID 88259588
(Z)-3-methoxybut-2-en-2-amine
CID 130248747
ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 143610027
(E)-3-ethoxybut-2-en-2-amine
CID 145606847
(Z)-4-propoxyhex-3-en-3-amine
CID 163913866
(Z)-3-ethoxybut-2-en-2-amine
CID 143750764

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethoxybut-2-en-2-amine?
The IUPAC name of ethane;(Z)-3-ethoxybut-2-en-2-amine (CID 143750763) is ethane;(Z)-3-ethoxybut-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-3-ethoxybut-2-en-2-amine?
The canonical SMILES for ethane;(Z)-3-ethoxybut-2-en-2-amine is CC.CC.CCO/C(C)=C(/C)N.
What is the InChIKey of ethane;(Z)-3-ethoxybut-2-en-2-amine?
The InChIKey is ODTVRRMEBYOVAW-XNOMRPDFSA-N. The full InChI is InChI=1S/C6H13NO.2C2H6/c1-4-8-6(3)5(2)7;2*1-2/h4,7H2,1-3H3;2*1-2H3/b6-5-;;.
What are the key properties of ethane;(Z)-3-ethoxybut-2-en-2-amine?
ethane;(Z)-3-ethoxybut-2-en-2-amine has a molecular weight of 175.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethoxybut-2-en-2-amine is sourced from PubChem (CID 143750763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).