6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine

C21H24N4O2+2 — CID 20784283

IUPAC6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine
SMILESCN(C)c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(N(C)C)ccc4OC13O2
InChIInChI=1S/C21H24N4O2/c1-22(2)17-5-7-19-15(11-17)13-24-9-10-25-14-16-12-18(23(3)4)6-8-20(16)27-21(24,25)26-19/h5-8,11-14H,9-10H2,1-4H3/q+2
InChIKeyVLQAWQUHZNAKAU-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.79
Rot. Bonds2

About 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine

6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine (PubChem CID 20784283) has the molecular formula C21H24N4O2+2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine.

Molecular Properties

Compound Name6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine
PubChem CID20784283
Molecular FormulaC21H24N4O2+2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine
SMILESCN(C)c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(N(C)C)ccc4OC13O2
InChIInChI=1S/C21H24N4O2/c1-22(2)17-5-7-19-15(11-17)13-24-9-10-25-14-16-12-18(23(3)4)6-8-20(16)27-21(24,25)26-19/h5-8,11-14H,9-10H2,1-4H3/q+2
InChIKeyVLQAWQUHZNAKAU-UHFFFAOYSA-N
XLogP1.79
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-amine
CID 20784355
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
5-(dimethylamino)-2,3-dihydro-1H-inden-1-ol
CID 83816705
N,N,3,4-tetramethylaniline
CID 12595466
3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline
CID 146212515
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
7-fluoro-N,N-dimethylnaphthalen-2-amine
CID 166120526
2-(1-aminocyclopropyl)-4-(dimethylamino)phenol
CID 117283257
(4aS,9aR)-7-(dimethylamino)-1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 11770250
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine?
The IUPAC name of 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine (CID 20784283) is 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine.
What is the SMILES notation for 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine?
The canonical SMILES for 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine is CN(C)c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(N(C)C)ccc4OC13O2.
What is the InChIKey of 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine?
The InChIKey is VLQAWQUHZNAKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-22(2)17-5-7-19-15(11-17)13-24-9-10-25-14-16-12-18(23(3)4)6-8-20(16)27-21(24,25)26-19/h5-8,11-14H,9-10H2,1-4H3/q+2.
What are the key properties of 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine?
6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine has a molecular weight of 364.45 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,17-N,17-N-tetramethyl-2,21-dioxa-10,13-diazoniapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3(8),4,6,9,13,15(20),16,18-octaene-6,17-diamine is sourced from PubChem (CID 20784283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).