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

C16H28N4O — CID 106965699

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-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C16H28N4O/c1-16(2,3)17-11-14-18-19-15(21-14)20-10-6-8-12-7-4-5-9-13(12)20/h12-13,17H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyPVTSMRNCEVUINE-CHWSQXEVSA-N
MW292.43 g/mol
LogP3.12
Rot. Bonds3

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-methylpropan-2-amine

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 (PubChem CID 106965699) has the molecular formula C16H28N4O and a molecular weight of 292.43 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-methylpropan-2-amine.

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-methylpropan-2-amine
PubChem CID106965699
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
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-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C16H28N4O/c1-16(2,3)17-11-14-18-19-15(21-14)20-10-6-8-12-7-4-5-9-13(12)20/h12-13,17H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyPVTSMRNCEVUINE-CHWSQXEVSA-N
XLogP3.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
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
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
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
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-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106962406
2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106962476
4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
CID 106963772
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921

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-methylpropan-2-amine?
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-methylpropan-2-amine (CID 106965699) 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-methylpropan-2-amine.
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-methylpropan-2-amine?
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-methylpropan-2-amine is CC(C)(C)NCc1nnc(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-methylpropan-2-amine?
The InChIKey is PVTSMRNCEVUINE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)17-11-14-18-19-15(21-14)20-10-6-8-12-7-4-5-9-13(12)20/h12-13,17H,4-11H2,1-3H3/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-methylpropan-2-amine?
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 has a molecular weight of 292.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylpropan-2-amine is sourced from PubChem (CID 106965699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).