(Z)-3-ethoxy-N-methylpent-3-en-1-amine

C8H17NO — CID 177320057

IUPAC(Z)-3-ethoxy-N-methylpent-3-en-1-amine
SMILESC/C=C(/CCNC)OCC
InChIInChI=1S/C8H17NO/c1-4-8(10-5-2)6-7-9-3/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyXHUMKCMYARJQNN-YWEYNIOJSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds5

About (Z)-3-ethoxy-N-methylpent-3-en-1-amine

(Z)-3-ethoxy-N-methylpent-3-en-1-amine (PubChem CID 177320057) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-3-ethoxy-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethoxy-N-methylpent-3-en-1-amine
PubChem CID177320057
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-3-ethoxy-N-methylpent-3-en-1-amine
SMILESC/C=C(/CCNC)OCC
InChIInChI=1S/C8H17NO/c1-4-8(10-5-2)6-7-9-3/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyXHUMKCMYARJQNN-YWEYNIOJSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
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 (Z)-3-ethoxy-N-methylpent-3-en-1-amine?
The IUPAC name of (Z)-3-ethoxy-N-methylpent-3-en-1-amine (CID 177320057) is (Z)-3-ethoxy-N-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-3-ethoxy-N-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-3-ethoxy-N-methylpent-3-en-1-amine is C/C=C(/CCNC)OCC.
What is the InChIKey of (Z)-3-ethoxy-N-methylpent-3-en-1-amine?
The InChIKey is XHUMKCMYARJQNN-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(10-5-2)6-7-9-3/h4,9H,5-7H2,1-3H3/b8-4-.
What are the key properties of (Z)-3-ethoxy-N-methylpent-3-en-1-amine?
(Z)-3-ethoxy-N-methylpent-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-N-methylpent-3-en-1-amine is sourced from PubChem (CID 177320057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).