10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine

C24H28N2 — CID 89240952

IUPAC10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine
SMILESC=C(C)Nc1ccc2c(c1)C1C3CCC(C3)C1C(c1ccc(C)cc1)N2
InChIInChI=1S/C24H28N2/c1-14(2)25-19-10-11-21-20(13-19)22-17-8-9-18(12-17)23(22)24(26-21)16-6-4-15(3)5-7-16/h4-7,10-11,13,17-18,22-26H,1,8-9,12H2,2-3H3
InChIKeyLIZUTFGDJYBCDE-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.24
Rot. Bonds3

About 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine

10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine (PubChem CID 89240952) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine.

Molecular Properties

Compound Name10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine
PubChem CID89240952
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine
SMILESC=C(C)Nc1ccc2c(c1)C1C3CCC(C3)C1C(c1ccc(C)cc1)N2
InChIInChI=1S/C24H28N2/c1-14(2)25-19-10-11-21-20(13-19)22-17-8-9-18(12-17)23(22)24(26-21)16-6-4-15(3)5-7-16/h4-7,10-11,13,17-18,22-26H,1,8-9,12H2,2-3H3
InChIKeyLIZUTFGDJYBCDE-UHFFFAOYSA-N
XLogP6.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine?
The IUPAC name of 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine (CID 89240952) is 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine.
What is the SMILES notation for 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine?
The canonical SMILES for 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine is C=C(C)Nc1ccc2c(c1)C1C3CCC(C3)C1C(c1ccc(C)cc1)N2.
What is the InChIKey of 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine?
The InChIKey is LIZUTFGDJYBCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-14(2)25-19-10-11-21-20(13-19)22-17-8-9-18(12-17)23(22)24(26-21)16-6-4-15(3)5-7-16/h4-7,10-11,13,17-18,22-26H,1,8-9,12H2,2-3H3.
What are the key properties of 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine?
10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine has a molecular weight of 344.50 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine is sourced from PubChem (CID 89240952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).