(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene

C25H40N2 — CID 143347963

IUPAC(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene
SMILESCCC(C)C1=CC(C)/C=C2C(=N/C1)\C(C)/C=C\C(C)(C(C)CC)/C=N\C\2C
InChIInChI=1S/C25H40N2/c1-9-18(4)22-13-17(3)14-23-21(7)27-16-25(8,20(6)10-2)12-11-19(5)24(23)26-15-22/h11-14,16-21H,9-10,15H2,1-8H3/b12-11-,22-13?,23-14-,26-24-,27-16-
InChIKeyZSXJIWCHCVVFSS-AJEMZSGDSA-N
MW368.61 g/mol
LogP6.69
Rot. Bonds4

About (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene

(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene (PubChem CID 143347963) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene.

Molecular Properties

Compound Name(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene
PubChem CID143347963
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene
SMILESCCC(C)C1=CC(C)/C=C2C(=N/C1)\C(C)/C=C\C(C)(C(C)CC)/C=N\C\2C
InChIInChI=1S/C25H40N2/c1-9-18(4)22-13-17(3)14-23-21(7)27-16-25(8,20(6)10-2)12-11-19(5)24(23)26-15-22/h11-14,16-21H,9-10,15H2,1-8H3/b12-11-,22-13?,23-14-,26-24-,27-16-
InChIKeyZSXJIWCHCVVFSS-AJEMZSGDSA-N
XLogP6.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene with MolForge

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Related Compounds

N-cyclohexyl-1-(2,3-dimethyl-3-propan-2-yl-2,4-dihydroazepin-6-yl)-3,4-dimethyl-4,5,8,9-tetrahydro-3H-cycloocta[c]pyridin-10-imine
CID 91457239
(1Z,6Z)-12-butan-2-yl-2,5,8,14-tetramethyl-5-(2-methylbutan-2-yl)-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene
CID 143347975
(1Z,3Z,6Z)-12-butan-2-yl-2,5,8,14-tetramethyl-5-(2-methylbutan-2-yl)-10-azabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene
CID 143347977
(Z)-N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-3,3,4-trimethyl-2-methylideneoct-5-en-1-imine
CID 146492399
(2E)-4-ethenyl-5-N-ethyl-1-N,3,4-trimethyl-2-[1-[[(Z)-2-methylbut-2-enylidene]amino]ethylidene]hexane-1,5-diimine
CID 169813297
2-[(3R)-2,6-dimethyl-3,4-dihydro-2H-azepin-3-yl]-N,2-dimethylbutan-1-imine
CID 173701632

Frequently Asked Questions

What is the IUPAC name of (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene?
The IUPAC name of (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene (CID 143347963) is (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene.
What is the SMILES notation for (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene?
The canonical SMILES for (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene is CCC(C)C1=CC(C)/C=C2C(=N/C1)\C(C)/C=C\C(C)(C(C)CC)/C=N\C\2C.
What is the InChIKey of (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene?
The InChIKey is ZSXJIWCHCVVFSS-AJEMZSGDSA-N. The full InChI is InChI=1S/C25H40N2/c1-9-18(4)22-13-17(3)14-23-21(7)27-16-25(8,20(6)10-2)12-11-19(5)24(23)26-15-22/h11-14,16-21H,9-10,15H2,1-8H3/b12-11-,22-13?,23-14-,26-24-,27-16-.
What are the key properties of (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene?
(1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene has a molecular weight of 368.61 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6Z)-5,12-di(butan-2-yl)-2,5,8,14-tetramethyl-3,10-diazabicyclo[7.6.0]pentadeca-1(15),3,6,9,12-pentaene is sourced from PubChem (CID 143347963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).