ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene

C14H23N — CID 143699429

IUPACethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene
SMILESCC.CC1C=C=C/C=N\C(C)(C)/C=C/C1
InChIInChI=1S/C12H17N.C2H6/c1-11-7-4-5-10-13-12(2,3)9-6-8-11;1-2/h5-7,9-11H,8H2,1-3H3;1-2H3/b9-6+,13-10-;
InChIKeyUIESHUBWJYYAQV-RADWMBCZSA-N
MW205.34 g/mol
LogP4.17
Rot. Bonds

About ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene

ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene (PubChem CID 143699429) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene.

Molecular Properties

Compound Nameethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene
PubChem CID143699429
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene
SMILESCC.CC1C=C=C/C=N\C(C)(C)/C=C/C1
InChIInChI=1S/C12H17N.C2H6/c1-11-7-4-5-10-13-12(2,3)9-6-8-11;1-2/h5-7,9-11H,8H2,1-3H3;1-2H3/b9-6+,13-10-;
InChIKeyUIESHUBWJYYAQV-RADWMBCZSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 22086824
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
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2-But-2-enyl-2-ethylpyrrole
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CID 57216634
8a-methyl-4aH-1,8-naphthyridine
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CID 58765980

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene?
The IUPAC name of ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene (CID 143699429) is ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene.
What is the SMILES notation for ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene?
The canonical SMILES for ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene is CC.CC1C=C=C/C=N\C(C)(C)/C=C/C1.
What is the InChIKey of ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene?
The InChIKey is UIESHUBWJYYAQV-RADWMBCZSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-11-7-4-5-10-13-12(2,3)9-6-8-11;1-2/h5-7,9-11H,8H2,1-3H3;1-2H3/b9-6+,13-10-;.
What are the key properties of ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene?
ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene has a molecular weight of 205.34 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-2,2,6-trimethyl-1-azacyclodeca-3,7,8,10-tetraene is sourced from PubChem (CID 143699429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).