4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine

C14H26N2O — CID 128917741

IUPAC4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
SMILESC1CC[C@H]2[C@@H](C1)CCN2CCN1CCOCC1
InChIInChI=1S/C14H26N2O/c1-2-4-14-13(3-1)5-6-16(14)8-7-15-9-11-17-12-10-15/h13-14H,1-12H2/t13-,14-/m0/s1
InChIKeyRAVKHVAGMUGPIU-KBPBESRZSA-N
MW238.37 g/mol
LogP1.58
Rot. Bonds3

About 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine

4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine (PubChem CID 128917741) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
PubChem CID128917741
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
SMILESC1CC[C@H]2[C@@H](C1)CCN2CCN1CCOCC1
InChIInChI=1S/C14H26N2O/c1-2-4-14-13(3-1)5-6-16(14)8-7-15-9-11-17-12-10-15/h13-14H,1-12H2/t13-,14-/m0/s1
InChIKeyRAVKHVAGMUGPIU-KBPBESRZSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine 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

1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine
CID 82750618
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
CID 131882343
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobutanoic acid
CID 82750702
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
CID 62832964
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine
CID 82750623
(4aS,8aR)-N-(2-morpholin-4-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 94743828
(4aR,8aS)-N-(2-morpholin-4-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 94743834

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine (CID 128917741) is 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine is C1CC[C@H]2[C@@H](C1)CCN2CCN1CCOCC1.
What is the InChIKey of 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine?
The InChIKey is RAVKHVAGMUGPIU-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-4-14-13(3-1)5-6-16(14)8-7-15-9-11-17-12-10-15/h13-14H,1-12H2/t13-,14-/m0/s1.
What are the key properties of 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine?
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine has a molecular weight of 238.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine is sourced from PubChem (CID 128917741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).