(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine

C17H32N2 — CID 130442162

IUPAC(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
SMILESCC/C=C\CCC(C)CC/N=C(CC)/C(=C/N)CC
InChIInChI=1S/C17H32N2/c1-5-8-9-10-11-15(4)12-13-19-17(7-3)16(6-2)14-18/h8-9,14-15H,5-7,10-13,18H2,1-4H3/b9-8-,16-14+,19-17+
InChIKeyJLLDZWHJMSKAOH-DWVCXRQKSA-N
MW264.46 g/mol
LogP4.86
Rot. Bonds10

About (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine

(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine (PubChem CID 130442162) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
PubChem CID130442162
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
SMILESCC/C=C\CCC(C)CC/N=C(CC)/C(=C/N)CC
InChIInChI=1S/C17H32N2/c1-5-8-9-10-11-15(4)12-13-19-17(7-3)16(6-2)14-18/h8-9,14-15H,5-7,10-13,18H2,1-4H3/b9-8-,16-14+,19-17+
InChIKeyJLLDZWHJMSKAOH-DWVCXRQKSA-N
XLogP4.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine (CID 130442162) is (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine is CC/C=C\CCC(C)CC/N=C(CC)/C(=C/N)CC.
What is the InChIKey of (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine?
The InChIKey is JLLDZWHJMSKAOH-DWVCXRQKSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-8-9-10-11-15(4)12-13-19-17(7-3)16(6-2)14-18/h8-9,14-15H,5-7,10-13,18H2,1-4H3/b9-8-,16-14+,19-17+.
What are the key properties of (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine?
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine is sourced from PubChem (CID 130442162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).