4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C12H23N3O — CID 104685815

IUPAC4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CCc1noc(C(C)CCCN)n1
InChIInChI=1S/C12H23N3O/c1-9(2)6-7-11-14-12(16-15-11)10(3)5-4-8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyRKTQUBYWDAKOPD-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.50
Rot. Bonds7

About 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685815) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685815
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CCc1noc(C(C)CCCN)n1
InChIInChI=1S/C12H23N3O/c1-9(2)6-7-11-14-12(16-15-11)10(3)5-4-8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyRKTQUBYWDAKOPD-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685872
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103146024
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104632648
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
4-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685902
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539896
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884711

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685815) is 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)CCc1noc(C(C)CCCN)n1.
What is the InChIKey of 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is RKTQUBYWDAKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)6-7-11-14-12(16-15-11)10(3)5-4-8-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).