1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine

C14H25N3O — CID 65090399

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2noc(CC)n2)CC1
InChIInChI=1S/C14H25N3O/c1-3-6-11-7-5-9-14(15,10-8-11)13-16-12(4-2)18-17-13/h11H,3-10,15H2,1-2H3
InChIKeyANKKILRTKVUVLY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine (PubChem CID 65090399) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
PubChem CID65090399
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2noc(CC)n2)CC1
InChIInChI=1S/C14H25N3O/c1-3-6-11-7-5-9-14(15,10-8-11)13-16-12(4-2)18-17-13/h11H,3-10,15H2,1-2H3
InChIKeyANKKILRTKVUVLY-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429525
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine (CID 65090399) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2noc(CC)n2)CC1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine?
The InChIKey is ANKKILRTKVUVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-11-7-5-9-14(15,10-8-11)13-16-12(4-2)18-17-13/h11H,3-10,15H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65090399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).