5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

C20H23N5 — CID 118159622

IUPAC5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCCCNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12
InChIInChI=1S/C20H23N5/c1-4-10-21-17-12-18-19(25-15(3)22-23-20(17)25)11-14(2)24(18)13-16-8-6-5-7-9-16/h5-9,11-12,21H,4,10,13H2,1-3H3
InChIKeyAWMMHHZFTKFRKW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.17
Rot. Bonds5

About 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (PubChem CID 118159622) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.

Molecular Properties

Compound Name5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
PubChem CID118159622
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCCCNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12
InChIInChI=1S/C20H23N5/c1-4-10-21-17-12-18-19(25-15(3)22-23-20(17)25)11-14(2)24(18)13-16-8-6-5-7-9-16/h5-9,11-12,21H,4,10,13H2,1-3H3
InChIKeyAWMMHHZFTKFRKW-UHFFFAOYSA-N
XLogP4.17
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The IUPAC name of 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (CID 118159622) is 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.
What is the SMILES notation for 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The canonical SMILES for 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is CCCNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12.
What is the InChIKey of 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The InChIKey is AWMMHHZFTKFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-10-21-17-12-18-19(25-15(3)22-23-20(17)25)11-14(2)24(18)13-16-8-6-5-7-9-16/h5-9,11-12,21H,4,10,13H2,1-3H3.
What are the key properties of 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine has a molecular weight of 333.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,12-dimethyl-N-propyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is sourced from PubChem (CID 118159622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).