(Z)-3-ethanimidoylhept-2-en-2-amine

C9H18N2 — CID 129144914

IUPAC(Z)-3-ethanimidoylhept-2-en-2-amine
SMILES[H]/N=C(C)/C(CCCC)=C(/C)N
InChIInChI=1S/C9H18N2/c1-4-5-6-9(7(2)10)8(3)11/h10H,4-6,11H2,1-3H3/b9-8-,10-7+
InChIKeyCADFZDKLIXIYFX-ABGYPUNPSA-N
MW154.26 g/mol
LogP2.45
Rot. Bonds4

About (Z)-3-ethanimidoylhept-2-en-2-amine

(Z)-3-ethanimidoylhept-2-en-2-amine (PubChem CID 129144914) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3-ethanimidoylhept-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-ethanimidoylhept-2-en-2-amine
PubChem CID129144914
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3-ethanimidoylhept-2-en-2-amine
SMILES[H]/N=C(C)/C(CCCC)=C(/C)N
InChIInChI=1S/C9H18N2/c1-4-5-6-9(7(2)10)8(3)11/h10H,4-6,11H2,1-3H3/b9-8-,10-7+
InChIKeyCADFZDKLIXIYFX-ABGYPUNPSA-N
XLogP2.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethanimidoylhept-2-en-2-amine?
The IUPAC name of (Z)-3-ethanimidoylhept-2-en-2-amine (CID 129144914) is (Z)-3-ethanimidoylhept-2-en-2-amine.
What is the SMILES notation for (Z)-3-ethanimidoylhept-2-en-2-amine?
The canonical SMILES for (Z)-3-ethanimidoylhept-2-en-2-amine is [H]/N=C(C)/C(CCCC)=C(/C)N.
What is the InChIKey of (Z)-3-ethanimidoylhept-2-en-2-amine?
The InChIKey is CADFZDKLIXIYFX-ABGYPUNPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9(7(2)10)8(3)11/h10H,4-6,11H2,1-3H3/b9-8-,10-7+.
What are the key properties of (Z)-3-ethanimidoylhept-2-en-2-amine?
(Z)-3-ethanimidoylhept-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethanimidoylhept-2-en-2-amine is sourced from PubChem (CID 129144914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).