(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine

C11H18N2 — CID 170362244

IUPAC(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine
SMILESC/C1=C/C=C\N/C(=N/C(C)C)CC1
InChIInChI=1S/C11H18N2/c1-9(2)13-11-7-6-10(3)5-4-8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b8-4-,10-5-
InChIKeyGCRQSQYXVVYFLY-AKVKBJFPSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds1

About (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine

(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine (PubChem CID 170362244) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine.

Molecular Properties

Compound Name(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine
PubChem CID170362244
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine
SMILESC/C1=C/C=C\N/C(=N/C(C)C)CC1
InChIInChI=1S/C11H18N2/c1-9(2)13-11-7-6-10(3)5-4-8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b8-4-,10-5-
InChIKeyGCRQSQYXVVYFLY-AKVKBJFPSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine?
The IUPAC name of (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine (CID 170362244) is (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine.
What is the SMILES notation for (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine?
The canonical SMILES for (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine is C/C1=C/C=C\N/C(=N/C(C)C)CC1.
What is the InChIKey of (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine?
The InChIKey is GCRQSQYXVVYFLY-AKVKBJFPSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)13-11-7-6-10(3)5-4-8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b8-4-,10-5-.
What are the key properties of (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine?
(5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-5-methyl-N-propan-2-yl-3,4-dihydro-1H-azocin-2-imine is sourced from PubChem (CID 170362244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).