N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine

C22H20N4 — CID 51041956

IUPACN,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
SMILESCN(C)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21
InChIInChI=1S/C22H20N4/c1-25(2)13-14-26-19-12-11-15-7-3-4-8-16(15)20(19)21-22(26)24-18-10-6-5-9-17(18)23-21/h3-12H,13-14H2,1-2H3
InChIKeyRKXGXOAZLXFWCB-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.45
Rot. Bonds3

About N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine

N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine (PubChem CID 51041956) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
PubChem CID51041956
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC NameN,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine
SMILESCN(C)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21
InChIInChI=1S/C22H20N4/c1-25(2)13-14-26-19-12-11-15-7-3-4-8-16(15)20(19)21-22(26)24-18-10-6-5-9-17(18)23-21/h3-12H,13-14H2,1-2H3
InChIKeyRKXGXOAZLXFWCB-UHFFFAOYSA-N
XLogP4.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine (CID 51041956) is N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine is CN(C)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21.
What is the InChIKey of N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
The InChIKey is RKXGXOAZLXFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-25(2)13-14-26-19-12-11-15-7-3-4-8-16(15)20(19)21-22(26)24-18-10-6-5-9-17(18)23-21/h3-12H,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine?
N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine has a molecular weight of 340.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)ethanamine is sourced from PubChem (CID 51041956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).