4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

C14H27N3OS — CID 65129679

IUPAC4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCCCSCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3OS/c1-4-9-19-10-13-16-14(18-17-13)6-5-12(7-8-15)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyLPRUPZSXCSSEHP-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.27
Rot. Bonds10

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

4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (PubChem CID 65129679) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
PubChem CID65129679
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCCCSCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3OS/c1-4-9-19-10-13-16-14(18-17-13)6-5-12(7-8-15)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyLPRUPZSXCSSEHP-UHFFFAOYSA-N
XLogP3.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65130040
4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65134138
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630
5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65129672
3,3-dimethyl-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65284905
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
2-methoxy-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157726
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072564
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220275
N-methyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129866
3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (CID 65129679) is 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is CCCSCc1noc(CCC(CCN)C(C)C)n1.
What is the InChIKey of 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The InChIKey is LPRUPZSXCSSEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-4-9-19-10-13-16-14(18-17-13)6-5-12(7-8-15)11(2)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 65129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).