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

C13H21N3O — CID 62589285

IUPAC(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
SMILESNC(c1noc(C2CCCCCC2)n1)C1CC1
InChIInChI=1S/C13H21N3O/c14-11(9-7-8-9)12-15-13(17-16-12)10-5-3-1-2-4-6-10/h9-11H,1-8,14H2
InChIKeyUSUPYDPXOXPACN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds3

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

(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine (PubChem CID 62589285) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
PubChem CID62589285
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
SMILESNC(c1noc(C2CCCCCC2)n1)C1CC1
InChIInChI=1S/C13H21N3O/c14-11(9-7-8-9)12-15-13(17-16-12)10-5-3-1-2-4-6-10/h9-11H,1-8,14H2
InChIKeyUSUPYDPXOXPACN-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106894093
cyclopropyl-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107002954
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741
1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704309
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62905005
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
5-cyclopentyl-3-iodo-1,2,4-oxadiazole
CID 112572473
CID 162193867
CID 162193867

Frequently Asked Questions

What is the IUPAC name of (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine?
The IUPAC name of (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine (CID 62589285) is (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine.
What is the SMILES notation for (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine?
The canonical SMILES for (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine is NC(c1noc(C2CCCCCC2)n1)C1CC1.
What is the InChIKey of (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine?
The InChIKey is USUPYDPXOXPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-11(9-7-8-9)12-15-13(17-16-12)10-5-3-1-2-4-6-10/h9-11H,1-8,14H2.
What are the key properties of (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine?
(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine is sourced from PubChem (CID 62589285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).