9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol

C21H25NO — CID 1201738

IUPAC9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol
SMILESCN(C)CCCC1(O)c2ccccc2C2(CC2)c2ccccc21
InChIInChI=1S/C21H25NO/c1-22(2)15-7-12-21(23)18-10-5-3-8-16(18)20(13-14-20)17-9-4-6-11-19(17)21/h3-6,8-11,23H,7,12-15H2,1-2H3
InChIKeyYSWCZXBYRWCEOE-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.66
Rot. Bonds4

About 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol

9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol (PubChem CID 1201738) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol.

Molecular Properties

Compound Name9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol
PubChem CID1201738
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol
SMILESCN(C)CCCC1(O)c2ccccc2C2(CC2)c2ccccc21
InChIInChI=1S/C21H25NO/c1-22(2)15-7-12-21(23)18-10-5-3-8-16(18)20(13-14-20)17-9-4-6-11-19(17)21/h3-6,8-11,23H,7,12-15H2,1-2H3
InChIKeyYSWCZXBYRWCEOE-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol?
The IUPAC name of 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol (CID 1201738) is 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol.
What is the SMILES notation for 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol?
The canonical SMILES for 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol is CN(C)CCCC1(O)c2ccccc2C2(CC2)c2ccccc21.
What is the InChIKey of 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol?
The InChIKey is YSWCZXBYRWCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22(2)15-7-12-21(23)18-10-5-3-8-16(18)20(13-14-20)17-9-4-6-11-19(17)21/h3-6,8-11,23H,7,12-15H2,1-2H3.
What are the key properties of 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol?
9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol has a molecular weight of 307.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)propyl]spiro[anthracene-10,1'-cyclopropane]-9-ol is sourced from PubChem (CID 1201738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).