3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

C21H26ClN — CID 25381

IUPAC3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C21H25N.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;/h5-8,10-14H,9,15H2,1-4H3;1H
InChIKeyRADLXCPDUXFGFF-UHFFFAOYSA-N
MW327.90 g/mol
LogP5.13
Rot. Bonds3

About 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 25381) has the molecular formula C21H26ClN and a molecular weight of 327.90 g/mol. Its IUPAC name is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID25381
Molecular FormulaC21H26ClN
Molecular Weight327.90 g/mol
Exact Mass327.18
IUPAC Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C21H25N.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;/h5-8,10-14H,9,15H2,1-4H3;1H
InChIKeyRADLXCPDUXFGFF-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride (CID 25381) is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.Cl.
What is the InChIKey of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is RADLXCPDUXFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.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;/h5-8,10-14H,9,15H2,1-4H3;1H.
What are the key properties of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 25381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).