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

C16H30N4O — CID 63347136

IUPAC2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(CCN(CC)CC)no1
InChIInChI=1S/C16H30N4O/c1-4-17-14-10-8-7-9-13(14)16-18-15(19-21-16)11-12-20(5-2)6-3/h13-14,17H,4-12H2,1-3H3
InChIKeyMJTRSSNIOIXIRH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.59
Rot. Bonds8

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

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (PubChem CID 63347136) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
PubChem CID63347136
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(CCN(CC)CC)no1
InChIInChI=1S/C16H30N4O/c1-4-17-14-10-8-7-9-13(14)16-18-15(19-21-16)11-12-20(5-2)6-3/h13-14,17H,4-12H2,1-3H3
InChIKeyMJTRSSNIOIXIRH-UHFFFAOYSA-N
XLogP2.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcycloheptan-1-amine
CID 115347333
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63892003
N-ethyl-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65130270
N-ethyl-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65133160
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N,N-diethyl-2-[5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79369553
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63348137
N-ethyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350856
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80637975
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (CID 63347136) is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1c1nc(CCN(CC)CC)no1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The InChIKey is MJTRSSNIOIXIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-17-14-10-8-7-9-13(14)16-18-15(19-21-16)11-12-20(5-2)6-3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 63347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).