3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C12H21N3O — CID 65391886

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H21N3O/c13-9-5-8-11-14-12(15-16-11)10-6-3-1-2-4-7-10/h10H,1-9,13H2
InChIKeyIGSBCIZSKTYDOV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds4

About 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 65391886) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID65391886
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H21N3O/c13-9-5-8-11-14-12(15-16-11)10-6-3-1-2-4-7-10/h10H,1-9,13H2
InChIKeyIGSBCIZSKTYDOV-UHFFFAOYSA-N
XLogP2.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80619997
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 65391886) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine is NCCCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is IGSBCIZSKTYDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-9-5-8-11-14-12(15-16-11)10-6-3-1-2-4-7-10/h10H,1-9,13H2.
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 65391886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).