(Z)-2-ethenoxy-3-methylbut-1-en-1-amine

C7H13NO — CID 126693326

IUPAC(Z)-2-ethenoxy-3-methylbut-1-en-1-amine
SMILESC=CO/C(=C\N)C(C)C
InChIInChI=1S/C7H13NO/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-
InChIKeyOPFXABLBHRDJNY-ALCCZGGFSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds3

About (Z)-2-ethenoxy-3-methylbut-1-en-1-amine

(Z)-2-ethenoxy-3-methylbut-1-en-1-amine (PubChem CID 126693326) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-ethenoxy-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenoxy-3-methylbut-1-en-1-amine
PubChem CID126693326
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-2-ethenoxy-3-methylbut-1-en-1-amine
SMILESC=CO/C(=C\N)C(C)C
InChIInChI=1S/C7H13NO/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-
InChIKeyOPFXABLBHRDJNY-ALCCZGGFSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
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)-2-ethenoxy-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-ethenoxy-3-methylbut-1-en-1-amine (CID 126693326) is (Z)-2-ethenoxy-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenoxy-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenoxy-3-methylbut-1-en-1-amine is C=CO/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-ethenoxy-3-methylbut-1-en-1-amine?
The InChIKey is OPFXABLBHRDJNY-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-.
What are the key properties of (Z)-2-ethenoxy-3-methylbut-1-en-1-amine?
(Z)-2-ethenoxy-3-methylbut-1-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenoxy-3-methylbut-1-en-1-amine is sourced from PubChem (CID 126693326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).