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

C21H25N — CID 25382

💊View drug profile → melitracen
IUPAC3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C21H25N/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
InChIKeyGWWLWDURRGNSRS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.71
Rot. Bonds3

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

3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 25382) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID25382
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C21H25N/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
InChIKeyGWWLWDURRGNSRS-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.71
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?
The IUPAC name of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine (CID 25382) is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is GWWLWDURRGNSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/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.
What are the key properties of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.71, 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 is sourced from PubChem (CID 25382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).