N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine

C15H26N4O2 — CID 106965698

IUPACN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnc(N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C15H26N4O2/c1-20-10-8-16-11-14-17-18-15(21-14)19-9-4-6-12-5-2-3-7-13(12)19/h12-13,16H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyCMFSUQWYUQQFGE-CHWSQXEVSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds6

About N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 106965698) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID106965698
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnc(N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C15H26N4O2/c1-20-10-8-16-11-14-17-18-15(21-14)19-9-4-6-12-5-2-3-7-13(12)19/h12-13,16H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyCMFSUQWYUQQFGE-CHWSQXEVSA-N
XLogP1.96
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106963724
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478
[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965906
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
CID 106965710
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106960883
N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106968736
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine (CID 106965698) is N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nnc(N2CCC[C@H]3CCCC[C@H]32)o1.
What is the InChIKey of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is CMFSUQWYUQQFGE-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-20-10-8-16-11-14-17-18-15(21-14)19-9-4-6-12-5-2-3-7-13(12)19/h12-13,16H,2-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 294.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106965698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).