4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine

C12H22N4O — CID 79121020

IUPAC4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCCc1nc(CN(C)C2CCC(N)CC2)no1
InChIInChI=1S/C12H22N4O/c1-3-12-14-11(15-17-12)8-16(2)10-6-4-9(13)5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyOARRUKMRYKBXNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds4

About 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121020) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121020
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCCc1nc(CN(C)C2CCC(N)CC2)no1
InChIInChI=1S/C12H22N4O/c1-3-12-14-11(15-17-12)8-16(2)10-6-4-9(13)5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyOARRUKMRYKBXNX-UHFFFAOYSA-N
XLogP1.33
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121020) is 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine is CCc1nc(CN(C)C2CCC(N)CC2)no1.
What is the InChIKey of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is OARRUKMRYKBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-12-14-11(15-17-12)8-16(2)10-6-4-9(13)5-7-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).