6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine

C12H23N3O — CID 65285729

IUPAC6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
SMILESCCCc1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C12H23N3O/c1-4-6-11-14-12(16-15-11)9(2)7-5-8-10(3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyOTUKYBPNZDPIIE-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.64
Rot. Bonds7

About 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine

6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine (PubChem CID 65285729) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
PubChem CID65285729
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
SMILESCCCc1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C12H23N3O/c1-4-6-11-14-12(16-15-11)9(2)7-5-8-10(3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyOTUKYBPNZDPIIE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285104
6-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285003
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685815
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269

Frequently Asked Questions

What is the IUPAC name of 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The IUPAC name of 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine (CID 65285729) is 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine.
What is the SMILES notation for 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The canonical SMILES for 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine is CCCc1noc(C(C)CCCC(C)N)n1.
What is the InChIKey of 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The InChIKey is OTUKYBPNZDPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-11-14-12(16-15-11)9(2)7-5-8-10(3)13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine is sourced from PubChem (CID 65285729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).