N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C15H19N3O — CID 60976106

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCc1noc(CNCC2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N3O/c1-11-17-15(19-18-11)10-16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,13,16H,4,6-7,9-10H2,1H3
InChIKeyFIAVSFBYYNAIBY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 60976106) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID60976106
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCc1noc(CNCC2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N3O/c1-11-17-15(19-18-11)10-16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,13,16H,4,6-7,9-10H2,1H3
InChIKeyFIAVSFBYYNAIBY-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63771252
N-[(2-ethylphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64681155
N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 54878651
N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63247100
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63757945
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 42949928
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 60976106) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is Cc1noc(CNCC2CCCc3ccccc32)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is FIAVSFBYYNAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-17-15(19-18-11)10-16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,13,16H,4,6-7,9-10H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 60976106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).