5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C11H20N4O — CID 115753280

IUPAC5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC1CCC(N)(c2nc(N(C)C)no2)CC1
InChIInChI=1S/C11H20N4O/c1-8-4-6-11(12,7-5-8)9-13-10(14-16-9)15(2)3/h8H,4-7,12H2,1-3H3
InChIKeySRECJFLMCJWTGB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.50
Rot. Bonds2

About 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 115753280) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID115753280
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC1CCC(N)(c2nc(N(C)C)no2)CC1
InChIInChI=1S/C11H20N4O/c1-8-4-6-11(12,7-5-8)9-13-10(14-16-9)15(2)3/h8H,4-7,12H2,1-3H3
InChIKeySRECJFLMCJWTGB-UHFFFAOYSA-N
XLogP1.50
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 115753280) is 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CC1CCC(N)(c2nc(N(C)C)no2)CC1.
What is the InChIKey of 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is SRECJFLMCJWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-4-6-11(12,7-5-8)9-13-10(14-16-9)15(2)3/h8H,4-7,12H2,1-3H3.
What are the key properties of 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115753280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).