(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine

C12H18ClN — CID 157035511

IUPAC(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine
SMILESCC(C)(C)C1=C/N=C(/Cl)CCC/C=C\1
InChIInChI=1S/C12H18ClN/c1-12(2,3)10-7-5-4-6-8-11(13)14-9-10/h5,7,9H,4,6,8H2,1-3H3/b7-5-,10-9+,14-11+
InChIKeyNOEQWJADJDFVDB-OVNUIZHUSA-N
MW211.74 g/mol
LogP4.29
Rot. Bonds

About (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine

(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine (PubChem CID 157035511) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine.

Molecular Properties

Compound Name(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine
PubChem CID157035511
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine
SMILESCC(C)(C)C1=C/N=C(/Cl)CCC/C=C\1
InChIInChI=1S/C12H18ClN/c1-12(2,3)10-7-5-4-6-8-11(13)14-9-10/h5,7,9H,4,6,8H2,1-3H3/b7-5-,10-9+,14-11+
InChIKeyNOEQWJADJDFVDB-OVNUIZHUSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68302749
2-chloro-6-propyl-3H-azepine
CID 123532702
6-tert-butyl-2-chloro-3H-azepine
CID 123619472
1-chloro-6,8a-dimethyl-8H-isoquinoline
CID 135266304
(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride
CID 154964909
(4Z)-4-ethenyl-N,7-dimethylocta-4,6-dienimidoyl chloride
CID 155055357
8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine
CID 173979049
2,5-ditert-butyl-3-chloro-3H-azepine
CID 134981947

Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine?
The IUPAC name of (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine (CID 157035511) is (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine.
What is the SMILES notation for (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine?
The canonical SMILES for (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine is CC(C)(C)C1=C/N=C(/Cl)CCC/C=C\1.
What is the InChIKey of (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine?
The InChIKey is NOEQWJADJDFVDB-OVNUIZHUSA-N. The full InChI is InChI=1S/C12H18ClN/c1-12(2,3)10-7-5-4-6-8-11(13)14-9-10/h5,7,9H,4,6,8H2,1-3H3/b7-5-,10-9+,14-11+.
What are the key properties of (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine?
(6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine has a molecular weight of 211.74 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-8-tert-butyl-2-chloro-4,5-dihydro-3H-azonine is sourced from PubChem (CID 157035511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).