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

C12H22N4O — CID 106967919

IUPAC5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NC2CCCC(C)C2C)o1
InChIInChI=1S/C12H22N4O/c1-7-5-4-6-10(8(7)2)14-12-16-15-11(17-12)9(3)13/h7-10H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyORRDIUWKKSQPNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.33
Rot. Bonds3

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

5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967919) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967919
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NC2CCCC(C)C2C)o1
InChIInChI=1S/C12H22N4O/c1-7-5-4-6-10(8(7)2)14-12-16-15-11(17-12)9(3)13/h7-10H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyORRDIUWKKSQPNX-UHFFFAOYSA-N
XLogP2.33
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106957754
5-(1-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965505
5-[(cyclopropylamino)methyl]-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967918
2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437122
2-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3-oxazole-4-carboxamide
CID 3868928
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265
5-[1-(methylamino)ethyl]-N-(3-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106968929
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962353
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106967919) is 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NC2CCCC(C)C2C)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ORRDIUWKKSQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7-5-4-6-10(8(7)2)14-12-16-15-11(17-12)9(3)13/h7-10H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).