(E)-7-bromo-3-methylnon-6-ene-4,5-diimine

C10H17BrN2 — CID 90919953

IUPAC(E)-7-bromo-3-methylnon-6-ene-4,5-diimine
SMILES[H]/N=C(\C=C(\Br)CC)C(=N/[H])/C(C)CC
InChIInChI=1S/C10H17BrN2/c1-4-7(3)10(13)9(12)6-8(11)5-2/h6-7,12-13H,4-5H2,1-3H3/b8-6+,12-9+,13-10+
InChIKeyWCXRPXNSLROXDK-ATELOPIESA-N
MW245.16 g/mol
LogP3.76
Rot. Bonds5

About (E)-7-bromo-3-methylnon-6-ene-4,5-diimine

(E)-7-bromo-3-methylnon-6-ene-4,5-diimine (PubChem CID 90919953) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is (E)-7-bromo-3-methylnon-6-ene-4,5-diimine.

Molecular Properties

Compound Name(E)-7-bromo-3-methylnon-6-ene-4,5-diimine
PubChem CID90919953
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name(E)-7-bromo-3-methylnon-6-ene-4,5-diimine
SMILES[H]/N=C(\C=C(\Br)CC)C(=N/[H])/C(C)CC
InChIInChI=1S/C10H17BrN2/c1-4-7(3)10(13)9(12)6-8(11)5-2/h6-7,12-13H,4-5H2,1-3H3/b8-6+,12-9+,13-10+
InChIKeyWCXRPXNSLROXDK-ATELOPIESA-N
XLogP3.76
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-7-bromo-3-methylnon-6-ene-4,5-diimine?
The IUPAC name of (E)-7-bromo-3-methylnon-6-ene-4,5-diimine (CID 90919953) is (E)-7-bromo-3-methylnon-6-ene-4,5-diimine.
What is the SMILES notation for (E)-7-bromo-3-methylnon-6-ene-4,5-diimine?
The canonical SMILES for (E)-7-bromo-3-methylnon-6-ene-4,5-diimine is [H]/N=C(\C=C(\Br)CC)C(=N/[H])/C(C)CC.
What is the InChIKey of (E)-7-bromo-3-methylnon-6-ene-4,5-diimine?
The InChIKey is WCXRPXNSLROXDK-ATELOPIESA-N. The full InChI is InChI=1S/C10H17BrN2/c1-4-7(3)10(13)9(12)6-8(11)5-2/h6-7,12-13H,4-5H2,1-3H3/b8-6+,12-9+,13-10+.
What are the key properties of (E)-7-bromo-3-methylnon-6-ene-4,5-diimine?
(E)-7-bromo-3-methylnon-6-ene-4,5-diimine has a molecular weight of 245.16 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-bromo-3-methylnon-6-ene-4,5-diimine is sourced from PubChem (CID 90919953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).