3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

C14H18N4O — CID 106414514

IUPAC3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCc1noc(CCNC2CC(N)c3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-9-17-14(19-18-9)6-7-16-13-8-12(15)10-4-2-3-5-11(10)13/h2-5,12-13,16H,6-8,15H2,1H3
InChIKeyJUVISKHAOTYOIY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds4

About 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 106414514) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID106414514
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCc1noc(CCNC2CC(N)c3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-9-17-14(19-18-9)6-7-16-13-8-12(15)10-4-2-3-5-11(10)13/h2-5,12-13,16H,6-8,15H2,1H3
InChIKeyJUVISKHAOTYOIY-UHFFFAOYSA-N
XLogP1.65
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (CID 106414514) is 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is Cc1noc(CCNC2CC(N)c3ccccc32)n1.
What is the InChIKey of 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is JUVISKHAOTYOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-17-14(19-18-9)6-7-16-13-8-12(15)10-4-2-3-5-11(10)13/h2-5,12-13,16H,6-8,15H2,1H3.
What are the key properties of 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 106414514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).