4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline

C18H28N2 — CID 2967206

IUPAC4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H28N2/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3
InChIKeyYNJMJDGETDJAPG-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.67
Rot. Bonds5

About 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline

4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 2967206) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline
PubChem CID2967206
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H28N2/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3
InChIKeyYNJMJDGETDJAPG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline (CID 2967206) is 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline is CC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2.
What is the InChIKey of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline?
The InChIKey is YNJMJDGETDJAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3.
What are the key properties of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline?
4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 272.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2967206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).