N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid

C20H23ClN2O5 — CID 24837505

IUPACN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid
SMILESCN(C)CCCON=c1c2ccccc2ccc2ccccc12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C20H22N2O.ClHO4/c1-22(2)14-7-15-23-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20;2-1(3,4)5/h3-6,8-13H,7,14-15H2,1-2H3;(H,2,3,4,5)
InChIKeyFIJJINNQLBUDEU-UHFFFAOYSA-N
MW406.87 g/mol
LogP-0.35
Rot. Bonds5

About N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid

N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid (PubChem CID 24837505) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid
PubChem CID24837505
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid
SMILESCN(C)CCCON=c1c2ccccc2ccc2ccccc12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C20H22N2O.ClHO4/c1-22(2)14-7-15-23-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20;2-1(3,4)5/h3-6,8-13H,7,14-15H2,1-2H3;(H,2,3,4,5)
InChIKeyFIJJINNQLBUDEU-UHFFFAOYSA-N
XLogP-0.35
TPSA114.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;dihydrochloride
CID 138398784
2-[(Z)-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)amino]oxy-N,N-dimethylethanamine
CID 5360663
(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
CID 114525509
3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine
CID 166558413
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
CID 63699924
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid?
The IUPAC name of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid (CID 24837505) is N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid.
What is the SMILES notation for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid?
The canonical SMILES for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid is CN(C)CCCON=c1c2ccccc2ccc2ccccc12.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid?
The InChIKey is FIJJINNQLBUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClHO4/c1-22(2)14-7-15-23-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20;2-1(3,4)5/h3-6,8-13H,7,14-15H2,1-2H3;(H,2,3,4,5).
What are the key properties of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid?
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid has a molecular weight of 406.87 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid is sourced from PubChem (CID 24837505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).