10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine

C23H30N2 — CID 15767679

IUPAC10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
SMILESCC1C2Cc3ccc(N(C)C)cc3C1(C)CCN2Cc1ccccc1
InChIInChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3
InChIKeyRWYOXWWPQFYBCZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.48
Rot. Bonds3

About 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine

10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine (PubChem CID 15767679) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound Name10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
PubChem CID15767679
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
SMILESCC1C2Cc3ccc(N(C)C)cc3C1(C)CCN2Cc1ccccc1
InChIInChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3
InChIKeyRWYOXWWPQFYBCZ-UHFFFAOYSA-N
XLogP4.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The IUPAC name of 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine (CID 15767679) is 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine.
What is the SMILES notation for 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The canonical SMILES for 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine is CC1C2Cc3ccc(N(C)C)cc3C1(C)CCN2Cc1ccccc1.
What is the InChIKey of 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The InChIKey is RWYOXWWPQFYBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3.
What are the key properties of 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine has a molecular weight of 334.51 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-N,N,1,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 15767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).