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

C20H24Cl2N2O — CID 138398784

IUPACN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;dihydrochloride
SMILESCN(C)CCCON=c1c2ccccc2ccc2ccccc12.Cl.Cl
InChIInChI=1S/C20H22N2O.2ClH/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;;/h3-6,8-13H,7,14-15H2,1-2H3;2*1H
InChIKeyVLYKCBDJFPJZFL-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.62
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;dihydrochloride

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 (PubChem CID 138398784) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 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;dihydrochloride.

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;dihydrochloride
PubChem CID138398784
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
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;dihydrochloride
SMILESCN(C)CCCON=c1c2ccccc2ccc2ccccc12.Cl.Cl
InChIInChI=1S/C20H22N2O.2ClH/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;;/h3-6,8-13H,7,14-15H2,1-2H3;2*1H
InChIKeyVLYKCBDJFPJZFL-UHFFFAOYSA-N
XLogP4.62
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 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-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-1-amine;perchloric acid
CID 24837505
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
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650

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;dihydrochloride?
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;dihydrochloride (CID 138398784) 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;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride is CN(C)CCCON=c1c2ccccc2ccc2ccccc12.Cl.Cl.
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;dihydrochloride?
The InChIKey is VLYKCBDJFPJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.2ClH/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;;/h3-6,8-13H,7,14-15H2,1-2H3;2*1H.
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;dihydrochloride?
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 has a molecular weight of 379.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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;dihydrochloride is sourced from PubChem (CID 138398784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).