7-ethyl-2-methyl-4,5-dihydroazocine

C10H15N — CID 123163878

IUPAC7-ethyl-2-methyl-4,5-dihydroazocine
SMILESCCC1=CCCC=C(C)/N=C\1
InChIInChI=1S/C10H15N/c1-3-10-7-5-4-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3/b9-6?,10-7?,11-8-
InChIKeyQUOUQSRLHWZEOY-RSYCXSLZSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds1

About 7-ethyl-2-methyl-4,5-dihydroazocine

7-ethyl-2-methyl-4,5-dihydroazocine (PubChem CID 123163878) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 7-ethyl-2-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name7-ethyl-2-methyl-4,5-dihydroazocine
PubChem CID123163878
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name7-ethyl-2-methyl-4,5-dihydroazocine
SMILESCCC1=CCCC=C(C)/N=C\1
InChIInChI=1S/C10H15N/c1-3-10-7-5-4-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3/b9-6?,10-7?,11-8-
InChIKeyQUOUQSRLHWZEOY-RSYCXSLZSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
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N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
CID 171492771
(E)-N-[(Z)-but-2-en-2-yl]-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 171493156
(2Z,6E)-7-(1,1-difluoroethyl)-2-methyl-4,5-dihydroazocine
CID 171493546
(2Z,6E)-2-ethyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 176969220
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(6E)-6-ethyl-7-fluoro-2-methyl-1-azacycloocta-2,3,6,8-tetraene
CID 141876436
(Z)-N-[(Z)-but-2-en-2-yl]-2-fluoro-3-methylpent-2-en-1-imine
CID 142120575

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-4,5-dihydroazocine?
The IUPAC name of 7-ethyl-2-methyl-4,5-dihydroazocine (CID 123163878) is 7-ethyl-2-methyl-4,5-dihydroazocine.
What is the SMILES notation for 7-ethyl-2-methyl-4,5-dihydroazocine?
The canonical SMILES for 7-ethyl-2-methyl-4,5-dihydroazocine is CCC1=CCCC=C(C)/N=C\1.
What is the InChIKey of 7-ethyl-2-methyl-4,5-dihydroazocine?
The InChIKey is QUOUQSRLHWZEOY-RSYCXSLZSA-N. The full InChI is InChI=1S/C10H15N/c1-3-10-7-5-4-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3/b9-6?,10-7?,11-8-.
What are the key properties of 7-ethyl-2-methyl-4,5-dihydroazocine?
7-ethyl-2-methyl-4,5-dihydroazocine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-4,5-dihydroazocine is sourced from PubChem (CID 123163878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).