2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C14H25N3O — CID 62048145

IUPAC2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC1CCCC(c2noc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C14H25N3O/c1-10-5-4-6-11(9-10)13-16-12(18-17-13)7-8-14(2,3)15/h10-11H,4-9,15H2,1-3H3
InChIKeyKFIAEEGJKUYFJI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 62048145) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID62048145
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC1CCCC(c2noc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C14H25N3O/c1-10-5-4-6-11(9-10)13-16-12(18-17-13)7-8-14(2,3)15/h10-11H,4-9,15H2,1-3H3
InChIKeyKFIAEEGJKUYFJI-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 62048145) is 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC1CCCC(c2noc(CCC(C)(C)N)n2)C1.
What is the InChIKey of 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is KFIAEEGJKUYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-5-4-6-11(9-10)13-16-12(18-17-13)7-8-14(2,3)15/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 62048145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).