3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide

C18H24N6O — CID 11267814

IUPAC3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide
SMILESCN(C)CCC(=O)NCc1ccc2c(n1)N(C)c1ncccc1N2C
InChIInChI=1S/C18H24N6O/c1-22(2)11-9-16(25)20-12-13-7-8-15-18(21-13)24(4)17-14(23(15)3)6-5-10-19-17/h5-8,10H,9,11-12H2,1-4H3,(H,20,25)
InChIKeyYHSMUTURWZVGDM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.89
Rot. Bonds5

About 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide

3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide (PubChem CID 11267814) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide
PubChem CID11267814
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide
SMILESCN(C)CCC(=O)NCc1ccc2c(n1)N(C)c1ncccc1N2C
InChIInChI=1S/C18H24N6O/c1-22(2)11-9-16(25)20-12-13-7-8-15-18(21-13)24(4)17-14(23(15)3)6-5-10-19-17/h5-8,10H,9,11-12H2,1-4H3,(H,20,25)
InChIKeyYHSMUTURWZVGDM-UHFFFAOYSA-N
XLogP1.89
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide 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 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide (CID 11267814) is 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide is CN(C)CCC(=O)NCc1ccc2c(n1)N(C)c1ncccc1N2C.
What is the InChIKey of 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide?
The InChIKey is YHSMUTURWZVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22(2)11-9-16(25)20-12-13-7-8-15-18(21-13)24(4)17-14(23(15)3)6-5-10-19-17/h5-8,10H,9,11-12H2,1-4H3,(H,20,25).
What are the key properties of 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide?
3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl)methyl]propanamide is sourced from PubChem (CID 11267814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).