N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline

C19H21N — CID 14810239

IUPACN,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline
SMILESCN(C)c1ccc(C=C2C=C3C(=C2)C2CCC3C2)cc1
InChIInChI=1S/C19H21N/c1-20(2)17-7-3-13(4-8-17)9-14-10-18-15-5-6-16(12-15)19(18)11-14/h3-4,7-11,15-16H,5-6,12H2,1-2H3
InChIKeyHFLIAPUIDOEJGH-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.43
Rot. Bonds2

About N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline

N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline (PubChem CID 14810239) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline
PubChem CID14810239
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline
SMILESCN(C)c1ccc(C=C2C=C3C(=C2)C2CCC3C2)cc1
InChIInChI=1S/C19H21N/c1-20(2)17-7-3-13(4-8-17)9-14-10-18-15-5-6-16(12-15)19(18)11-14/h3-4,7-11,15-16H,5-6,12H2,1-2H3
InChIKeyHFLIAPUIDOEJGH-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S,3S,6S,8S,9S,10R)-9,10-bis(benzenesulfonyl)-11-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-enylidene]methyl]-N,N-dimethylaniline
CID 124525555
CID 102273448
CID 102273448
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
CID 123170690
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline
CID 163845764
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
cis-(3R,6R)-2-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 7065373
[4-[[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]cyclobuten-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 20721960

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline (CID 14810239) is N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline is CN(C)c1ccc(C=C2C=C3C(=C2)C2CCC3C2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline?
The InChIKey is HFLIAPUIDOEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-20(2)17-7-3-13(4-8-17)9-14-10-18-15-5-6-16(12-15)19(18)11-14/h3-4,7-11,15-16H,5-6,12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline?
N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline has a molecular weight of 263.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline is sourced from PubChem (CID 14810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).