2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine

C14H25N3O2 — CID 116702512

IUPAC2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCCCC(OC)c1noc(C2(C)CCCCC2N)n1
InChIInChI=1S/C14H25N3O2/c1-4-7-10(18-3)12-16-13(19-17-12)14(2)9-6-5-8-11(14)15/h10-11H,4-9,15H2,1-3H3
InChIKeySFUPDUNWPNEWEA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine

2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (PubChem CID 116702512) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
PubChem CID116702512
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCCCC(OC)c1noc(C2(C)CCCCC2N)n1
InChIInChI=1S/C14H25N3O2/c1-4-7-10(18-3)12-16-13(19-17-12)14(2)9-6-5-8-11(14)15/h10-11H,4-9,15H2,1-3H3
InChIKeySFUPDUNWPNEWEA-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (CID 116702512) is 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is CCCC(OC)c1noc(C2(C)CCCCC2N)n1.
What is the InChIKey of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The InChIKey is SFUPDUNWPNEWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-10(18-3)12-16-13(19-17-12)14(2)9-6-5-8-11(14)15/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 116702512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).