N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine

C24H39NO2 — CID 14895657

IUPACN-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)N(CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C)C(C)C
InChIInChI=1S/C24H39NO2/c1-18(2)25(19(3)4)15-16-26-24(20-11-9-8-10-12-20)17-21-13-14-23(24,7)27-22(21,5)6/h8-12,18-19,21H,13-17H2,1-7H3
InChIKeyKWQAQRZZEOMFNS-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.38
Rot. Bonds7

About N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine

N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine (PubChem CID 14895657) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine
PubChem CID14895657
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC NameN-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)N(CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C)C(C)C
InChIInChI=1S/C24H39NO2/c1-18(2)25(19(3)4)15-16-26-24(20-11-9-8-10-12-20)17-21-13-14-23(24,7)27-22(21,5)6/h8-12,18-19,21H,13-17H2,1-7H3
InChIKeyKWQAQRZZEOMFNS-UHFFFAOYSA-N
XLogP5.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[(2R,6R)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 156021441
N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
CID 203890
4-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]morpholine
CID 203894
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
CID 28379
[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 46188794
(6-Cyclohexyl-6-phenyl-1,4-dioxan-2-yl)methyl-trimethylazanium
CID 75167447
[(2R,5R)-5-cyclohexyl-5-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 156014205
[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 156015390
[(2R,5S)-5-cyclohexyl-5-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 156015971
1,3,3,5-Tetramethyl-7-phenylmethoxy-2-oxabicyclo[2.2.2]octane
CID 20198007
N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine
CID 70315177
(3S,6R,8R,10S,11S)-2,2,6,13,13-pentamethyl-11-phenyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
CID 11990922

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine (CID 14895657) is N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine is CC(C)N(CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine?
The InChIKey is KWQAQRZZEOMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-18(2)25(19(3)4)15-16-26-24(20-11-9-8-10-12-20)17-21-13-14-23(24,7)27-22(21,5)6/h8-12,18-19,21H,13-17H2,1-7H3.
What are the key properties of N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine?
N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine has a molecular weight of 373.58 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 14895657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).