2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine

C12H21N3O — CID 79869881

IUPAC2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nonc1CNC1CCCCC1(C)C
InChIInChI=1S/C12H21N3O/c1-9-10(15-16-14-9)8-13-11-6-4-5-7-12(11,2)3/h11,13H,4-8H2,1-3H3
InChIKeyFIEWNPBHCRUMJW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 79869881) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID79869881
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nonc1CNC1CCCCC1(C)C
InChIInChI=1S/C12H21N3O/c1-9-10(15-16-14-9)8-13-11-6-4-5-7-12(11,2)3/h11,13H,4-8H2,1-3H3
InChIKeyFIEWNPBHCRUMJW-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine (CID 79869881) is 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine is Cc1nonc1CNC1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is FIEWNPBHCRUMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-10(15-16-14-9)8-13-11-6-4-5-7-12(11,2)3/h11,13H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79869881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).