3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride

C21H26ClN — CID 172653286

IUPAC3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCC=C1c2ccccc2C(C)(C)c2ccccc21)C([2H])([2H])[2H]
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/i3D3,4D3;
InChIKeyRADLXCPDUXFGFF-SKCUOGQWSA-N
MW333.94 g/mol
LogP5.13
Rot. Bonds5

About 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride

3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride (PubChem CID 172653286) has the molecular formula C21H26ClN and a molecular weight of 333.94 g/mol. Its IUPAC name is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
PubChem CID172653286
Molecular FormulaC21H26ClN
Molecular Weight333.94 g/mol
Exact Mass333.21
IUPAC Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCC=C1c2ccccc2C(C)(C)c2ccccc21)C([2H])([2H])[2H]
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/i3D3,4D3;
InChIKeyRADLXCPDUXFGFF-SKCUOGQWSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.94
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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Related Compounds

(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 6068334
bis(N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine);hydrochloride
CID 69259794
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 163322068
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
2-[(11E)-11-[3-[bis(trideuteriomethyl)amino]propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-2,2-dideuterioacetic acid
CID 46842041
N,N-dimethyl-3-(9-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 77390822
(3Z)-N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
CID 10062940
3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 138396935
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;sulfuryl dichloride
CID 19964142
(3E)-3-(2-chloro-10-oxothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 6441320

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride (CID 172653286) is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride is Cl.[2H]C([2H])([2H])N(CCC=C1c2ccccc2C(C)(C)c2ccccc21)C([2H])([2H])[2H].
What is the InChIKey of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride?
The InChIKey is RADLXCPDUXFGFF-SKCUOGQWSA-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/i3D3,4D3;.
What are the key properties of 3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride?
3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride has a molecular weight of 333.94 g/mol, XLogP of 5.13, 5 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-bis(trideuteriomethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 172653286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).