ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine

C19H35N — CID 143746100

IUPACethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
SMILESCC.CC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C
InChIInChI=1S/C17H29N.C2H6/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4;1-2/h9-13H,1-8H3;1-2H3/b14-9-,15-10-,18-11-;
InChIKeyGFNCMKJMQYLPDK-DMDLMWOUSA-N
MW277.50 g/mol
LogP6.07
Rot. Bonds2

About ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine

ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine (PubChem CID 143746100) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine.

Molecular Properties

Compound Nameethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
PubChem CID143746100
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Nameethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
SMILESCC.CC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C
InChIInChI=1S/C17H29N.C2H6/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4;1-2/h9-13H,1-8H3;1-2H3/b14-9-,15-10-,18-11-;
InChIKeyGFNCMKJMQYLPDK-DMDLMWOUSA-N
XLogP6.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-Dimethyl-10-propan-2-yl-3-azabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
CID 90685841
2-Ethyl-2,4,7,7-tetramethylazocine
CID 90979377
4-(5,5-diethyl-6,9-dimethylcyclonona-1,6-dien-1-yl)-N-methyl-2-methylidenepent-3-en-1-imine
CID 123200197
N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine
CID 130183025
Ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156500
ethane;(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene
CID 155589593
(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine
CID 170197140
(2Z,5E,7Z)-N-ethyl-2,5,7,8,11-pentamethyl-4-methylidenetrideca-2,5,7,12-tetraen-1-imine
CID 173892713
(2Z)-N-tert-butyl-4-methyl-4-[2-[(2Z,4Z)-1,6,6-trimethylcycloocta-2,4,7-trien-1-yl]ethyl]hexa-2,5-dien-1-imine
CID 173911777
4,4,10,10-Tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156501
(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
CID 143746101

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The IUPAC name of ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine (CID 143746100) is ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine.
What is the SMILES notation for ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The canonical SMILES for ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine is CC.CC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C.
What is the InChIKey of ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The InChIKey is GFNCMKJMQYLPDK-DMDLMWOUSA-N. The full InChI is InChI=1S/C17H29N.C2H6/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4;1-2/h9-13H,1-8H3;1-2H3/b14-9-,15-10-,18-11-;.
What are the key properties of ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine has a molecular weight of 277.50 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine is sourced from PubChem (CID 143746100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).