(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine

C17H25N — CID 170668990

IUPAC(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine
SMILESCC(C)c1cccc2c1C(C(C)C)CCN/C=C\2
InChIInChI=1S/C17H25N/c1-12(2)15-7-5-6-14-8-10-18-11-9-16(13(3)4)17(14)15/h5-8,10,12-13,16,18H,9,11H2,1-4H3/b10-8-
InChIKeyLZEAJUTXYCHZOL-NTMALXAHSA-N
MW243.39 g/mol
LogP4.51
Rot. Bonds2

About (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine

(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine (PubChem CID 170668990) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine.

Molecular Properties

Compound Name(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine
PubChem CID170668990
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine
SMILESCC(C)c1cccc2c1C(C(C)C)CCN/C=C\2
InChIInChI=1S/C17H25N/c1-12(2)15-7-5-6-14-8-10-18-11-9-16(13(3)4)17(14)15/h5-8,10,12-13,16,18H,9,11H2,1-4H3/b10-8-
InChIKeyLZEAJUTXYCHZOL-NTMALXAHSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170669166
4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene
CID 170669206
4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
CID 23498005
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1-methyl-7-propan-2-yl-2,3-dihydro-1H-indene
CID 158866458
3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 175835841
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
(7Z)-4,5-di(propan-2-yl)-5,6,9,10-tetrahydropyrido[2,3-c]azocine
CID 170668918
1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[2,6-di(propan-2-yl)phenyl]-2H-triazole-1,3-diium
CID 123521570
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
7-methyl-1,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170588357

Frequently Asked Questions

What is the IUPAC name of (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine?
The IUPAC name of (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine (CID 170668990) is (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine.
What is the SMILES notation for (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine?
The canonical SMILES for (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine is CC(C)c1cccc2c1C(C(C)C)CCN/C=C\2.
What is the InChIKey of (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine?
The InChIKey is LZEAJUTXYCHZOL-NTMALXAHSA-N. The full InChI is InChI=1S/C17H25N/c1-12(2)15-7-5-6-14-8-10-18-11-9-16(13(3)4)17(14)15/h5-8,10,12-13,16,18H,9,11H2,1-4H3/b10-8-.
What are the key properties of (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine?
(1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine has a molecular weight of 243.39 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-3-benzazocine is sourced from PubChem (CID 170668990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).