(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine

C11H17N — CID 90737213

IUPAC(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
SMILESCC1/C=C\C=N/C(C(C)C)=C\C1
InChIInChI=1S/C11H17N/c1-9(2)11-7-6-10(3)5-4-8-12-11/h4-5,7-10H,6H2,1-3H3/b5-4-,11-7-,12-8-
InChIKeySZHNSDNGLHAEBO-KOALAAFWSA-N
MW163.26 g/mol
LogP3.19
Rot. Bonds1

About (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine

(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine (PubChem CID 90737213) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
PubChem CID90737213
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
SMILESCC1/C=C\C=N/C(C(C)C)=C\C1
InChIInChI=1S/C11H17N/c1-9(2)11-7-6-10(3)5-4-8-12-11/h4-5,7-10H,6H2,1-3H3/b5-4-,11-7-,12-8-
InChIKeySZHNSDNGLHAEBO-KOALAAFWSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine?
The IUPAC name of (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine (CID 90737213) is (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine.
What is the SMILES notation for (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine?
The canonical SMILES for (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine is CC1/C=C\C=N/C(C(C)C)=C\C1.
What is the InChIKey of (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine?
The InChIKey is SZHNSDNGLHAEBO-KOALAAFWSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11-7-6-10(3)5-4-8-12-11/h4-5,7-10H,6H2,1-3H3/b5-4-,11-7-,12-8-.
What are the key properties of (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine?
(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine has a molecular weight of 163.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine is sourced from PubChem (CID 90737213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).