N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine

C23H25NO — CID 1203612

IUPACN,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine
SMILESCN(C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/t23-/m1/s1
InChIKeyBWDSMWZBQJYVLD-HSZRJFAPSA-N
MW331.46 g/mol
LogP4.61
Rot. Bonds4

About N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine

N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine (PubChem CID 1203612) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine
PubChem CID1203612
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine
SMILESCN(C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/t23-/m1/s1
InChIKeyBWDSMWZBQJYVLD-HSZRJFAPSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine 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

dimethyl-[2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethyl]azanium
CID 6973889
2-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]-N,N-dimethylethanamine
CID 7045626
2-[(10,10-dimethyl-9H-anthracen-9-yl)oxy]-N,N-dimethylethanamine
CID 29254
14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene
CID 10632343
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
CID 23964124
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine
CID 98533854
2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine
CID 29652
N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide
CID 97356952
1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine
CID 4198010
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103096640
N,N-dimethyl-2-[(5-methyl-4,4-dioxo-10H-thieno[3,4-c][2,1]benzothiazepin-10-yl)oxy]ethanamine
CID 10066618

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine (CID 1203612) is N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine is CN(C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21.
What is the InChIKey of N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine?
The InChIKey is BWDSMWZBQJYVLD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO/c1-24(2)15-16-25-23-21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,23H,12,14-16H2,1-2H3/t23-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine?
N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine has a molecular weight of 331.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2R)-2-tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaenyl]oxy]ethanamine is sourced from PubChem (CID 1203612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).