(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine

C9H14IN — CID 155105676

IUPAC(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/I)CC(C)C
InChIInChI=1S/C9H14IN/c1-8(2)7-9(3-5-10)4-6-11/h3-6,8,11H,7H2,1-2H3/b5-3-,9-4+,11-6+
InChIKeyFRXKOROAYNKCFR-MKFNOKERSA-N
MW263.12 g/mol
LogP3.56
Rot. Bonds4

About (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine

(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine (PubChem CID 155105676) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine
PubChem CID155105676
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC Name(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/I)CC(C)C
InChIInChI=1S/C9H14IN/c1-8(2)7-9(3-5-10)4-6-11/h3-6,8,11H,7H2,1-2H3/b5-3-,9-4+,11-6+
InChIKeyFRXKOROAYNKCFR-MKFNOKERSA-N
XLogP3.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine?
The IUPAC name of (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine (CID 155105676) is (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine.
What is the SMILES notation for (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine?
The canonical SMILES for (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine is [H]/N=C/C=C(\C=C/I)CC(C)C.
What is the InChIKey of (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine?
The InChIKey is FRXKOROAYNKCFR-MKFNOKERSA-N. The full InChI is InChI=1S/C9H14IN/c1-8(2)7-9(3-5-10)4-6-11/h3-6,8,11H,7H2,1-2H3/b5-3-,9-4+,11-6+.
What are the key properties of (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine?
(Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine has a molecular weight of 263.12 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-2-iodoethenyl]-5-methylhex-2-en-1-imine is sourced from PubChem (CID 155105676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).