4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine

C16H21N3O — CID 61015244

IUPAC4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCc1noc(CNC2CCC(C)(C)c3ccccc32)n1
InChIInChI=1S/C16H21N3O/c1-11-18-15(20-19-11)10-17-14-8-9-16(2,3)13-7-5-4-6-12(13)14/h4-7,14,17H,8-10H2,1-3H3
InChIKeyDVJYVDCEPDRBSZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds3

About 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 61015244) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID61015244
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCc1noc(CNC2CCC(C)(C)c3ccccc32)n1
InChIInChI=1S/C16H21N3O/c1-11-18-15(20-19-11)10-17-14-8-9-16(2,3)13-7-5-4-6-12(13)14/h4-7,14,17H,8-10H2,1-3H3
InChIKeyDVJYVDCEPDRBSZ-UHFFFAOYSA-N
XLogP3.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine (CID 61015244) is 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine is Cc1noc(CNC2CCC(C)(C)c3ccccc32)n1.
What is the InChIKey of 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is DVJYVDCEPDRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-18-15(20-19-11)10-17-14-8-9-16(2,3)13-7-5-4-6-12(13)14/h4-7,14,17H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 61015244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).