2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide

C20H26BrNO — CID 22619637

IUPAC2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
SMILESBr.CN(C)CCCC1c2ccccc2CCc2cc(O)ccc21
InChIInChI=1S/C20H25NO.BrH/c1-21(2)13-5-8-20-18-7-4-3-6-15(18)9-10-16-14-17(22)11-12-19(16)20;/h3-4,6-7,11-12,14,20,22H,5,8-10,13H2,1-2H3;1H
InChIKeyVQFCZJJVVOHTFH-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.54
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide

2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide (PubChem CID 22619637) has the molecular formula C20H26BrNO and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
PubChem CID22619637
Molecular FormulaC20H26BrNO
Molecular Weight376.34 g/mol
Exact Mass375.12
IUPAC Name2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
SMILESBr.CN(C)CCCC1c2ccccc2CCc2cc(O)ccc21
InChIInChI=1S/C20H25NO.BrH/c1-21(2)13-5-8-20-18-7-4-3-6-15(18)9-10-16-14-17(22)11-12-19(16)20;/h3-4,6-7,11-12,14,20,22H,5,8-10,13H2,1-2H3;1H
InChIKeyVQFCZJJVVOHTFH-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide?
The IUPAC name of 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide (CID 22619637) is 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide?
The canonical SMILES for 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide is Br.CN(C)CCCC1c2ccccc2CCc2cc(O)ccc21.
What is the InChIKey of 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide?
The InChIKey is VQFCZJJVVOHTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.BrH/c1-21(2)13-5-8-20-18-7-4-3-6-15(18)9-10-16-14-17(22)11-12-19(16)20;/h3-4,6-7,11-12,14,20,22H,5,8-10,13H2,1-2H3;1H.
What are the key properties of 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide?
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide has a molecular weight of 376.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide is sourced from PubChem (CID 22619637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).