N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine

C23H20N2 — CID 89117184

IUPACN,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine
SMILESCN(C)c1cc2ccc3c4cc5ccccc5cc4ccc3c2n1C
InChIInChI=1S/C23H20N2/c1-24(2)22-14-18-9-10-19-20(23(18)25(22)3)11-8-17-12-15-6-4-5-7-16(15)13-21(17)19/h4-14H,1-3H3
InChIKeyMHYMIEMYPKHDED-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.70
Rot. Bonds1

About N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine

N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine (PubChem CID 89117184) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine.

Molecular Properties

Compound NameN,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine
PubChem CID89117184
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC NameN,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine
SMILESCN(C)c1cc2ccc3c4cc5ccccc5cc4ccc3c2n1C
InChIInChI=1S/C23H20N2/c1-24(2)22-14-18-9-10-19-20(23(18)25(22)3)11-8-17-12-15-6-4-5-7-16(15)13-21(17)19/h4-14H,1-3H3
InChIKeyMHYMIEMYPKHDED-UHFFFAOYSA-N
XLogP5.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-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 N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine?
The IUPAC name of N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine (CID 89117184) is N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine.
What is the SMILES notation for N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine?
The canonical SMILES for N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine is CN(C)c1cc2ccc3c4cc5ccccc5cc4ccc3c2n1C.
What is the InChIKey of N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine?
The InChIKey is MHYMIEMYPKHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-24(2)22-14-18-9-10-19-20(23(18)25(22)3)11-8-17-12-15-6-4-5-7-16(15)13-21(17)19/h4-14H,1-3H3.
What are the key properties of N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine?
N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine has a molecular weight of 324.43 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine is sourced from PubChem (CID 89117184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).