3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine

C14H27N3O — CID 79405630

IUPAC3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
SMILESCCCCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-4-5-6-13-16-14(18-17-13)8-7-12(9-10-15)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyKXOBRSJEUBICPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.97
Rot. Bonds9

About 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine

3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 79405630) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
PubChem CID79405630
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
SMILESCCCCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-4-5-6-13-16-14(18-17-13)8-7-12(9-10-15)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyKXOBRSJEUBICPY-UHFFFAOYSA-N
XLogP2.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65134138
4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65129679
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490108
3-[2-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 79970758
(2S)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpentan-1-amine
CID 104916154
4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196556
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
4-methyl-3-[2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196345

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine (CID 79405630) is 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine is CCCCc1noc(CCC(CCN)C(C)C)n1.
What is the InChIKey of 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is KXOBRSJEUBICPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-5-6-13-16-14(18-17-13)8-7-12(9-10-15)11(2)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine?
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 79405630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).