4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine

C18H34N2O — CID 82751941

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN2CCC3CCCCC32)C(C)(C)OC1(C)C
InChIInChI=1S/C18H34N2O/c1-17(2)14(16(19-5)18(3,4)21-17)12-20-11-10-13-8-6-7-9-15(13)20/h13-16,19H,6-12H2,1-5H3
InChIKeyFCTGUBMUEKECHI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds3

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 82751941) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID82751941
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN2CCC3CCCCC32)C(C)(C)OC1(C)C
InChIInChI=1S/C18H34N2O/c1-17(2)14(16(19-5)18(3,4)21-17)12-20-11-10-13-8-6-7-9-15(13)20/h13-16,19H,6-12H2,1-5H3
InChIKeyFCTGUBMUEKECHI-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine with MolForge

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Related Compounds

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912796
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912449
1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 79933882
N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 79933879
[1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 79913376
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66247758
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 82752685
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methylamino)butanenitrile
CID 82750370

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 82751941) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is CNC1C(CN2CCC3CCCCC32)C(C)(C)OC1(C)C.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is FCTGUBMUEKECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(2)14(16(19-5)18(3,4)21-17)12-20-11-10-13-8-6-7-9-15(13)20/h13-16,19H,6-12H2,1-5H3.
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 294.48 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 82751941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).