acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane

C13H25NO — CID 143080478

IUPACacetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
SMILESC#C.CC/C=C(/CN)OCC.CC1CC1
InChIInChI=1S/C7H15NO.C4H8.C2H2/c1-3-5-7(6-8)9-4-2;1-4-2-3-4;1-2/h5H,3-4,6,8H2,1-2H3;4H,2-3H2,1H3;1-2H/b7-5-;;
InChIKeyDFWNRJYSANOTOJ-MWKZNRQPSA-N
MW211.35 g/mol
LogP2.94
Rot. Bonds4

About acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane

acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane (PubChem CID 143080478) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane.

Molecular Properties

Compound Nameacetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
PubChem CID143080478
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameacetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
SMILESC#C.CC/C=C(/CN)OCC.CC1CC1
InChIInChI=1S/C7H15NO.C4H8.C2H2/c1-3-5-7(6-8)9-4-2;1-4-2-3-4;1-2/h5H,3-4,6,8H2,1-2H3;4H,2-3H2,1H3;1-2H/b7-5-;;
InChIKeyDFWNRJYSANOTOJ-MWKZNRQPSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane?
The IUPAC name of acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane (CID 143080478) is acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane.
What is the SMILES notation for acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane?
The canonical SMILES for acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane is C#C.CC/C=C(/CN)OCC.CC1CC1.
What is the InChIKey of acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane?
The InChIKey is DFWNRJYSANOTOJ-MWKZNRQPSA-N. The full InChI is InChI=1S/C7H15NO.C4H8.C2H2/c1-3-5-7(6-8)9-4-2;1-4-2-3-4;1-2/h5H,3-4,6,8H2,1-2H3;4H,2-3H2,1H3;1-2H/b7-5-;;.
What are the key properties of acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane?
acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane has a molecular weight of 211.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane is sourced from PubChem (CID 143080478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).