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

C16H30N4O — CID 61293044

IUPAC1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(CCN(CC)CC)no2)CC1
InChIInChI=1S/C16H30N4O/c1-4-13-7-10-16(17,11-8-13)15-18-14(19-21-15)9-12-20(5-2)6-3/h13H,4-12,17H2,1-3H3
InChIKeyZJQSARYIMNNMGS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.71
Rot. Bonds7

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

1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine (PubChem CID 61293044) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine
PubChem CID61293044
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(CCN(CC)CC)no2)CC1
InChIInChI=1S/C16H30N4O/c1-4-13-7-10-16(17,11-8-13)15-18-14(19-21-15)9-12-20(5-2)6-3/h13H,4-12,17H2,1-3H3
InChIKeyZJQSARYIMNNMGS-UHFFFAOYSA-N
XLogP2.71
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine (CID 61293044) is 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc(CCN(CC)CC)no2)CC1.
What is the InChIKey of 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine?
The InChIKey is ZJQSARYIMNNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-13-7-10-16(17,11-8-13)15-18-14(19-21-15)9-12-20(5-2)6-3/h13H,4-12,17H2,1-3H3.
What are the key properties of 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine?
1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 61293044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).