4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline

C17H24N2 — CID 43225497

IUPAC4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCC2CC3C=CC2C3)cc1
InChIInChI=1S/C17H24N2/c1-19(2)17-7-4-13(5-8-17)11-18-12-16-10-14-3-6-15(16)9-14/h3-8,14-16,18H,9-12H2,1-2H3
InChIKeyOSPOWKDFIMVWLJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.05
Rot. Bonds5

About 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline

4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline (PubChem CID 43225497) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
PubChem CID43225497
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCC2CC3C=CC2C3)cc1
InChIInChI=1S/C17H24N2/c1-19(2)17-7-4-13(5-8-17)11-18-12-16-10-14-3-6-15(16)9-14/h3-8,14-16,18H,9-12H2,1-2H3
InChIKeyOSPOWKDFIMVWLJ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-Di-o-tolylethylenediamine
CID 66759
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
2-Mepp
CID 91965
1-(3,4-Xylyl)piperazine
CID 2723782
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919
N-benzyl-4-methylaniline
CID 79403
N-Ethyl-p-toluidine
CID 61164
N,N-diethyl-p-toluidine
CID 69177
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
Benzenamine, N,4-dimethyl-
CID 12165

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline (CID 43225497) is 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCC2CC3C=CC2C3)cc1.
What is the InChIKey of 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is OSPOWKDFIMVWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-19(2)17-7-4-13(5-8-17)11-18-12-16-10-14-3-6-15(16)9-14/h3-8,14-16,18H,9-12H2,1-2H3.
What are the key properties of 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline?
4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 256.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43225497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).