1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine

C17H29N3O — CID 61351745

IUPAC1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(CCC3CCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-2-13-9-11-17(18,12-10-13)16-19-15(21-20-16)8-7-14-5-3-4-6-14/h13-14H,2-12,18H2,1H3
InChIKeyAZYOWKIFBJRDQD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds5

About 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine

1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine (PubChem CID 61351745) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
PubChem CID61351745
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(CCC3CCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-2-13-9-11-17(18,12-10-13)16-19-15(21-20-16)8-7-14-5-3-4-6-14/h13-14H,2-12,18H2,1H3
InChIKeyAZYOWKIFBJRDQD-UHFFFAOYSA-N
XLogP3.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
CID 65090399
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 83138229
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
1-[5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861670
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine (CID 61351745) is 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2noc(CCC3CCCC3)n2)CC1.
What is the InChIKey of 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine?
The InChIKey is AZYOWKIFBJRDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-13-9-11-17(18,12-10-13)16-19-15(21-20-16)8-7-14-5-3-4-6-14/h13-14H,2-12,18H2,1H3.
What are the key properties of 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine?
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 61351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).