7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine

C26H35N — CID 42644375

IUPAC7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC(C)(CC1CCN2CC(C)(c3ccccc3)CCC2C1)c1ccccc1
InChIInChI=1S/C26H35N/c1-25(2,22-10-6-4-7-11-22)19-21-15-17-27-20-26(3,16-14-24(27)18-21)23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3
InChIKeyTYKVPRVZJAXROH-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.19
Rot. Bonds4

About 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine

7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine (PubChem CID 42644375) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine.

Molecular Properties

Compound Name7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
PubChem CID42644375
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC(C)(CC1CCN2CC(C)(c3ccccc3)CCC2C1)c1ccccc1
InChIInChI=1S/C26H35N/c1-25(2,22-10-6-4-7-11-22)19-21-15-17-27-20-26(3,16-14-24(27)18-21)23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3
InChIKeyTYKVPRVZJAXROH-UHFFFAOYSA-N
XLogP6.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The IUPAC name of 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine (CID 42644375) is 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine.
What is the SMILES notation for 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The canonical SMILES for 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine is CC(C)(CC1CCN2CC(C)(c3ccccc3)CCC2C1)c1ccccc1.
What is the InChIKey of 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The InChIKey is TYKVPRVZJAXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-25(2,22-10-6-4-7-11-22)19-21-15-17-27-20-26(3,16-14-24(27)18-21)23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3.
What are the key properties of 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine?
7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine has a molecular weight of 361.57 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine is sourced from PubChem (CID 42644375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).