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

C14H26N2O — CID 82750618

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine
SMILESNC1(CN2CCC3CCCCC32)CCOCC1
InChIInChI=1S/C14H26N2O/c15-14(6-9-17-10-7-14)11-16-8-5-12-3-1-2-4-13(12)16/h12-13H,1-11,15H2
InChIKeyMGIHPYISSOPITA-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds2

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

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine (PubChem CID 82750618) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine
PubChem CID82750618
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine
SMILESNC1(CN2CCC3CCCCC32)CCOCC1
InChIInChI=1S/C14H26N2O/c15-14(6-9-17-10-7-14)11-16-8-5-12-3-1-2-4-13(12)16/h12-13H,1-11,15H2
InChIKeyMGIHPYISSOPITA-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
1-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 65459564
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
CID 65459333
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxane-4-carboxylic acid
CID 82752836
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 82753263
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropyl]methanamine
CID 115453680
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
CID 102728271
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 82752685

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine (CID 82750618) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine is NC1(CN2CCC3CCCCC32)CCOCC1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine?
The InChIKey is MGIHPYISSOPITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(6-9-17-10-7-14)11-16-8-5-12-3-1-2-4-13(12)16/h12-13H,1-11,15H2.
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 2 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)oxan-4-amine is sourced from PubChem (CID 82750618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).