8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine

C14H24N4O — CID 64862648

IUPAC8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)c1nncn1C
InChIInChI=1S/C14H24N4O/c1-9(13-17-15-8-18(13)4)16-11-10-6-5-7-19-12(10)14(11,2)3/h8-12,16H,5-7H2,1-4H3
InChIKeyHTAYCADICCYINM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds3

About 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862648) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862648
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)c1nncn1C
InChIInChI=1S/C14H24N4O/c1-9(13-17-15-8-18(13)4)16-11-10-6-5-7-19-12(10)14(11,2)3/h8-12,16H,5-7H2,1-4H3
InChIKeyHTAYCADICCYINM-UHFFFAOYSA-N
XLogP1.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862648) is 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC(NC1C2CCCOC2C1(C)C)c1nncn1C.
What is the InChIKey of 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is HTAYCADICCYINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(13-17-15-8-18(13)4)16-11-10-6-5-7-19-12(10)14(11,2)3/h8-12,16H,5-7H2,1-4H3.
What are the key properties of 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 264.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).