N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride

C13H25ClN4O — CID 120751614

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
SMILESCN(CCC1CCCCC1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-17(8-7-11-5-3-2-4-6-11)10-12-15-13(9-14)18-16-12;/h11H,2-10,14H2,1H3;1H
InChIKeyXHMDXTMYVLIJAJ-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.35
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride (PubChem CID 120751614) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
PubChem CID120751614
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
SMILESCN(CCC1CCCCC1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-17(8-7-11-5-3-2-4-6-11)10-12-15-13(9-14)18-16-12;/h11H,2-10,14H2,1H3;1H
InChIKeyXHMDXTMYVLIJAJ-UHFFFAOYSA-N
XLogP2.35
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride with MolForge

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine
CID 120751413
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dimethyl-N'-phenylethane-1,2-diamine
CID 120752884
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 120751201
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride
CID 120751117
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride (CID 120751614) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride is CN(CCC1CCCCC1)Cc1noc(CN)n1.Cl.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride?
The InChIKey is XHMDXTMYVLIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-17(8-7-11-5-3-2-4-6-11)10-12-15-13(9-14)18-16-12;/h11H,2-10,14H2,1H3;1H.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120751614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).