5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine

C12H22N4O — CID 106959560

IUPAC5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCCC1CCCCC1Nc1nnc(CCN)o1
InChIInChI=1S/C12H22N4O/c1-2-9-5-3-4-6-10(9)14-12-16-15-11(17-12)7-8-13/h9-10H,2-8,13H2,1H3,(H,14,16)
InChIKeyTZOXIDJOYILKND-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.95
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959560) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959560
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCCC1CCCCC1Nc1nnc(CCN)o1
InChIInChI=1S/C12H22N4O/c1-2-9-5-3-4-6-10(9)14-12-16-15-11(17-12)7-8-13/h9-10H,2-8,13H2,1H3,(H,14,16)
InChIKeyTZOXIDJOYILKND-UHFFFAOYSA-N
XLogP1.95
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959568
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437122
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962960
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960449
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106959560) is 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine is CCC1CCCCC1Nc1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TZOXIDJOYILKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-9-5-3-4-6-10(9)14-12-16-15-11(17-12)7-8-13/h9-10H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).