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

C13H24N4O — CID 106959682

IUPAC5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1CCC(CNc2nnc(CCN)o2)CC1
InChIInChI=1S/C13H24N4O/c1-2-10-3-5-11(6-4-10)9-15-13-17-16-12(18-13)7-8-14/h10-11H,2-9,14H2,1H3,(H,15,17)
InChIKeyFXTJCXOWMBUCSO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.20
Rot. Bonds6

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

5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959682) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959682
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1CCC(CNc2nnc(CCN)o2)CC1
InChIInChI=1S/C13H24N4O/c1-2-10-3-5-11(6-4-10)9-15-13-17-16-12(18-13)7-8-14/h10-11H,2-9,14H2,1H3,(H,15,17)
InChIKeyFXTJCXOWMBUCSO-UHFFFAOYSA-N
XLogP2.20
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106959560
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 137340686
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963519
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106959682) is 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine is CCC1CCC(CNc2nnc(CCN)o2)CC1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FXTJCXOWMBUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-10-3-5-11(6-4-10)9-15-13-17-16-12(18-13)7-8-14/h10-11H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).