ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine

C10H19NO — CID 143080304

IUPACethane;(Z)-2-propoxypent-2-en-4-yn-1-amine
SMILESC#C/C=C(/CN)OCCC.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-8(7-9)10-6-4-2;1-2/h1,5H,4,6-7,9H2,2H3;1-2H3/b8-5-;
InChIKeyYCGVEECVVQEJCR-HGKIGUAWSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds4

About ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine

ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine (PubChem CID 143080304) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-propoxypent-2-en-4-yn-1-amine
PubChem CID143080304
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(Z)-2-propoxypent-2-en-4-yn-1-amine
SMILESC#C/C=C(/CN)OCCC.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-8(7-9)10-6-4-2;1-2/h1,5H,4,6-7,9H2,2H3;1-2H3/b8-5-;
InChIKeyYCGVEECVVQEJCR-HGKIGUAWSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
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 ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine?
The IUPAC name of ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine (CID 143080304) is ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine.
What is the SMILES notation for ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine?
The canonical SMILES for ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine is C#C/C=C(/CN)OCCC.CC.
What is the InChIKey of ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine?
The InChIKey is YCGVEECVVQEJCR-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-3-5-8(7-9)10-6-4-2;1-2/h1,5H,4,6-7,9H2,2H3;1-2H3/b8-5-;.
What are the key properties of ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine?
ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-propoxypent-2-en-4-yn-1-amine is sourced from PubChem (CID 143080304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).