N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine

C17H24N4O — CID 124625019

IUPACN,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine
SMILESC[C@@H](NCc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N4O/c1-12(18-11-16-19-17(20-22-16)21(2)3)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,18H,4-7,11H2,1-3H3/t12-/m1/s1
InChIKeySKLGJXRGPISLJN-GFCCVEGCSA-N
MW300.41 g/mol
LogP2.87
Rot. Bonds5

About N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 124625019) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID124625019
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine
SMILESC[C@@H](NCc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N4O/c1-12(18-11-16-19-17(20-22-16)21(2)3)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,18H,4-7,11H2,1-3H3/t12-/m1/s1
InChIKeySKLGJXRGPISLJN-GFCCVEGCSA-N
XLogP2.87
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913382
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 132970569
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine (CID 124625019) is N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine is C[C@@H](NCc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is SKLGJXRGPISLJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(18-11-16-19-17(20-22-16)21(2)3)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,18H,4-7,11H2,1-3H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 300.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 124625019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).