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Trimipramine

C20H26N2 — CID 5584

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3
InChIKeyZSCDBOWYZJWBIY-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.12
Rot. Bonds4

About Trimipramine

Trimipramine (PubChem CID 5584) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameTrimipramine
PubChem CID5584
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3
InChIKeyZSCDBOWYZJWBIY-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Clomipramine
CID 2801
Imipramine
CID 3696
Mianserin
CID 4184
Imipramine Hydrochloride
CID 8228
Bis(p-(dimethylamino)phenyl)methane
CID 7567

Frequently Asked Questions

What is the IUPAC name of Trimipramine?
The IUPAC name of Trimipramine (CID 5584) is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for Trimipramine?
The canonical SMILES for Trimipramine is CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.
What is the InChIKey of Trimipramine?
The InChIKey is ZSCDBOWYZJWBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3.
What are the key properties of Trimipramine?
Trimipramine has a molecular weight of 294.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Trimipramine is sourced from PubChem (CID 5584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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