3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride

C21H28ClN — CID 138396935

IUPAC3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCC1c2ccccc2C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C21H27N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3;1H
InChIKeyMAYVLFIUCRDJPJ-UHFFFAOYSA-N
MW329.92 g/mol
LogP5.22
Rot. Bonds4

About 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride

3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 138396935) has the molecular formula C21H28ClN and a molecular weight of 329.92 g/mol. Its IUPAC name is 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID138396935
Molecular FormulaC21H28ClN
Molecular Weight329.92 g/mol
Exact Mass329.19
IUPAC Name3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCC1c2ccccc2C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C21H27N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3;1H
InChIKeyMAYVLFIUCRDJPJ-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.92
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 138396935) is 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCC1c2ccccc2C(C)(C)c2ccccc21.Cl.
What is the InChIKey of 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is MAYVLFIUCRDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3;1H.
What are the key properties of 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 329.92 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 138396935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).