2,5-dimethyl-3,4-dihydroazocine

C9H13N — CID 123837220

IUPAC2,5-dimethyl-3,4-dihydroazocine
SMILESCC1=CC=C/N=C(/C)CC1
InChIInChI=1S/C9H13N/c1-8-4-3-7-10-9(2)6-5-8/h3-4,7H,5-6H2,1-2H3/b7-3?,8-4?,10-9-
InChIKeyAKAAZDQLMPZVDG-LRYDFTAISA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds

About 2,5-dimethyl-3,4-dihydroazocine

2,5-dimethyl-3,4-dihydroazocine (PubChem CID 123837220) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydroazocine.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydroazocine
PubChem CID123837220
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,5-dimethyl-3,4-dihydroazocine
SMILESCC1=CC=C/N=C(/C)CC1
InChIInChI=1S/C9H13N/c1-8-4-3-7-10-9(2)6-5-8/h3-4,7H,5-6H2,1-2H3/b7-3?,8-4?,10-9-
InChIKeyAKAAZDQLMPZVDG-LRYDFTAISA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
Dibenz[b,f]azocine
CID 23633137
2-Pentylazocine
CID 57095178
Methyl(ethyl) 3h azepine
CID 91189360
10,11-Dihydro-dibenzazepine
CID 126697729
(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
CID 129643885
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
5,7-Dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine
CID 154499412
(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine
CID 166689655
(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine
CID 166991122
(5Z,7E)-2-methyl-7-(trifluoromethyl)-3,4-dihydroazocine
CID 171493464

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydroazocine?
The IUPAC name of 2,5-dimethyl-3,4-dihydroazocine (CID 123837220) is 2,5-dimethyl-3,4-dihydroazocine.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydroazocine?
The canonical SMILES for 2,5-dimethyl-3,4-dihydroazocine is CC1=CC=C/N=C(/C)CC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydroazocine?
The InChIKey is AKAAZDQLMPZVDG-LRYDFTAISA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-3-7-10-9(2)6-5-8/h3-4,7H,5-6H2,1-2H3/b7-3?,8-4?,10-9-.
What are the key properties of 2,5-dimethyl-3,4-dihydroazocine?
2,5-dimethyl-3,4-dihydroazocine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydroazocine is sourced from PubChem (CID 123837220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).