(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine

C10H17N — CID 91397304

IUPAC(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine
SMILESCCC1(C)CCC/C=C\C=N/1
InChIInChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11-10/h5,7,9H,3-4,6,8H2,1-2H3/b7-5-,11-9-
InChIKeyMLPDBRNLNSQQJG-CXHWBCNXSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds1

About (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine

(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine (PubChem CID 91397304) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine.

Molecular Properties

Compound Name(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine
PubChem CID91397304
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine
SMILESCCC1(C)CCC/C=C\C=N/1
InChIInChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11-10/h5,7,9H,3-4,6,8H2,1-2H3/b7-5-,11-9-
InChIKeyMLPDBRNLNSQQJG-CXHWBCNXSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
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(1E)-N-[1-(Octa-2,7-dien-1-yl)cyclohexyl]propan-1-imine
CID 70601286
(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
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Frequently Asked Questions

What is the IUPAC name of (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine?
The IUPAC name of (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine (CID 91397304) is (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine.
What is the SMILES notation for (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine?
The canonical SMILES for (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine is CCC1(C)CCC/C=C\C=N/1.
What is the InChIKey of (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine?
The InChIKey is MLPDBRNLNSQQJG-CXHWBCNXSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(2)8-6-4-5-7-9-11-10/h5,7,9H,3-4,6,8H2,1-2H3/b7-5-,11-9-.
What are the key properties of (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine?
(6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-ethyl-2-methyl-4,5-dihydro-3H-azocine is sourced from PubChem (CID 91397304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).