(4Z)-8-methyl-1,6-dihydro-1,3-diazocine

C7H10N2 — CID 123208459

IUPAC(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
SMILESCC1=CC/C=C\N=C/N1
InChIInChI=1S/C7H10N2/c1-7-4-2-3-5-8-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,7-4?
InChIKeyHAGXZOJGCWVSAK-JLZHNKSKSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About (4Z)-8-methyl-1,6-dihydro-1,3-diazocine

(4Z)-8-methyl-1,6-dihydro-1,3-diazocine (PubChem CID 123208459) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (4Z)-8-methyl-1,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
PubChem CID123208459
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
SMILESCC1=CC/C=C\N=C/N1
InChIInChI=1S/C7H10N2/c1-7-4-2-3-5-8-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,7-4?
InChIKeyHAGXZOJGCWVSAK-JLZHNKSKSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19748726
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4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942
8-Methyl-1,6-dihydro-1,3-diazocin-7-amine
CID 123202821
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
N'-ethenyl-N-prop-1-en-2-ylmethanimidamide
CID 123469172
N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
CID 123493596
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-methyl-1,6-dihydro-1,3-diazocine?
The IUPAC name of (4Z)-8-methyl-1,6-dihydro-1,3-diazocine (CID 123208459) is (4Z)-8-methyl-1,6-dihydro-1,3-diazocine.
What is the SMILES notation for (4Z)-8-methyl-1,6-dihydro-1,3-diazocine?
The canonical SMILES for (4Z)-8-methyl-1,6-dihydro-1,3-diazocine is CC1=CC/C=C\N=C/N1.
What is the InChIKey of (4Z)-8-methyl-1,6-dihydro-1,3-diazocine?
The InChIKey is HAGXZOJGCWVSAK-JLZHNKSKSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-4-2-3-5-8-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,7-4?.
What are the key properties of (4Z)-8-methyl-1,6-dihydro-1,3-diazocine?
(4Z)-8-methyl-1,6-dihydro-1,3-diazocine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-methyl-1,6-dihydro-1,3-diazocine is sourced from PubChem (CID 123208459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).