N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine

C23H26N4O — CID 10362065

IUPACN,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine
SMILESCN(C)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)N(C)c1ccccc1-2
InChIInChI=1S/C23H26N4O/c1-23(2)11-10-16-19(28-23)14-18-20-21(24-27(18)13-12-25(3)4)15-8-6-7-9-17(15)26(5)22(16)20/h6-11,14H,12-13H2,1-5H3
InChIKeyMRPZLFSTBSKMMS-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.53
Rot. Bonds3

About N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine

N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine (PubChem CID 10362065) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine
PubChem CID10362065
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine
SMILESCN(C)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)N(C)c1ccccc1-2
InChIInChI=1S/C23H26N4O/c1-23(2)11-10-16-19(28-23)14-18-20-21(24-27(18)13-12-25(3)4)15-8-6-7-9-17(15)26(5)22(16)20/h6-11,14H,12-13H2,1-5H3
InChIKeyMRPZLFSTBSKMMS-UHFFFAOYSA-N
XLogP4.53
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine with MolForge

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Related Compounds

AL-38022A
CID 12985378
2-(15-Methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethyl methanesulfonate
CID 11080950
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
3-(Naphthalen-1-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazole
CID 76321623
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 25102643
5,5,19-Trimethyl-10-(2-pyrrolidin-1-ylethyl)-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene
CID 10431124
2-(5,5-Dimethyl-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanol
CID 10925670
2-(5,5,19-Trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethyl methanesulfonate
CID 11026284
2-(5,5,19-Trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanol
CID 11068010
2-(15-Methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol
CID 11810940
2-(5,5-dimethyl-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)-N,N-diethylethanamine
CID 11999971
5,5-Dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene
CID 11999972

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine (CID 10362065) is N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine is CN(C)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)N(C)c1ccccc1-2.
What is the InChIKey of N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine?
The InChIKey is MRPZLFSTBSKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2)11-10-16-19(28-23)14-18-20-21(24-27(18)13-12-25(3)4)15-8-6-7-9-17(15)26(5)22(16)20/h6-11,14H,12-13H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine?
N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine has a molecular weight of 374.49 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine is sourced from PubChem (CID 10362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).