5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C14H24N4O — CID 129401871

IUPAC5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC1=CCC[C@H](C)[C@H]1CNCc1nc(N(C)C)no1
InChIInChI=1S/C14H24N4O/c1-10-6-5-7-11(2)12(10)8-15-9-13-16-14(17-19-13)18(3)4/h6,11-12,15H,5,7-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyWDMAWPRIJVGETO-RYUDHWBXSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds5

About 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 129401871) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID129401871
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC1=CCC[C@H](C)[C@H]1CNCc1nc(N(C)C)no1
InChIInChI=1S/C14H24N4O/c1-10-6-5-7-11(2)12(10)8-15-9-13-16-14(17-19-13)18(3)4/h6,11-12,15H,5,7-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyWDMAWPRIJVGETO-RYUDHWBXSA-N
XLogP2.22
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 129401871) is 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CC1=CCC[C@H](C)[C@H]1CNCc1nc(N(C)C)no1.
What is the InChIKey of 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WDMAWPRIJVGETO-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-6-5-7-11(2)12(10)8-15-9-13-16-14(17-19-13)18(3)4/h6,11-12,15H,5,7-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 264.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 129401871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).