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

C17H29N — CID 143746101

IUPAC(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
SMILESCC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C
InChIInChI=1S/C17H29N/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4/h9-13H,1-8H3/b14-9-,15-10-,18-11-
InChIKeyPLOZEBPMPQFDBY-WQPBTFLSSA-N
MW247.43 g/mol
LogP5.04
Rot. Bonds2

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

(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine (PubChem CID 143746101) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine.

Molecular Properties

Compound Name(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
PubChem CID143746101
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
SMILESCC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C
InChIInChI=1S/C17H29N/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4/h9-13H,1-8H3/b14-9-,15-10-,18-11-
InChIKeyPLOZEBPMPQFDBY-WQPBTFLSSA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.04
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
CID 91587646
CID 91587646
(Z)-N,4,6,6-tetramethyl-2-(3-methylbut-2-en-2-yl)hept-2-en-1-imine
CID 132155974
(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine
CID 138726383
Ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156500
ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
CID 143746100
(5E)-5-ethylidene-2,2-dimethyl-7-pent-3-yn-2-yl-3,4-dihydroazocine
CID 173793415
6,6-Dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene
CID 91587647
4,4,10,10-Tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156501
(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene
CID 155589594

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The IUPAC name of (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine (CID 143746101) is (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine.
What is the SMILES notation for (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The canonical SMILES for (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine is CC(C)C1=C/C(C)(C)/C=N\C(C)(C)/C=C\1C(C)C.
What is the InChIKey of (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
The InChIKey is PLOZEBPMPQFDBY-WQPBTFLSSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)14-9-16(5,6)11-18-17(7,8)10-15(14)13(3)4/h9-13H,1-8H3/b14-9-,15-10-,18-11-.
What are the key properties of (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine?
(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine has a molecular weight of 247.43 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine is sourced from PubChem (CID 143746101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).