(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine

C10H17N — CID 123933853

IUPAC(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine
SMILESCCC1/C=C\N=C/CCC1C
InChIInChI=1S/C10H17N/c1-3-10-6-8-11-7-4-5-9(10)2/h6-10H,3-5H2,1-2H3/b8-6-,11-7-
InChIKeyXFJNOWAZKJUBAG-NFNKYSHCSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds1

About (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine

(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine (PubChem CID 123933853) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine.

Molecular Properties

Compound Name(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine
PubChem CID123933853
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine
SMILESCCC1/C=C\N=C/CCC1C
InChIInChI=1S/C10H17N/c1-3-10-6-8-11-7-4-5-9(10)2/h6-10H,3-5H2,1-2H3/b8-6-,11-7-
InChIKeyXFJNOWAZKJUBAG-NFNKYSHCSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
CID 137399813
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CID 134861499
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
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3-Tert-butyl-3,4-dihydropyridine
CID 14979271
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
3-Cyclopropyl-3,4-dihydropyridine
CID 53937988
4-Cyclohexyl-3,4-dihydropyridine
CID 53946718
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938

Frequently Asked Questions

What is the IUPAC name of (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine?
The IUPAC name of (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine (CID 123933853) is (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine.
What is the SMILES notation for (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine?
The canonical SMILES for (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine is CCC1/C=C\N=C/CCC1C.
What is the InChIKey of (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine?
The InChIKey is XFJNOWAZKJUBAG-NFNKYSHCSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10-6-8-11-7-4-5-9(10)2/h6-10H,3-5H2,1-2H3/b8-6-,11-7-.
What are the key properties of (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine?
(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine is sourced from PubChem (CID 123933853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).