5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine

C10H18N4O — CID 65417050

IUPAC5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
SMILESNCC1(Cc2nc(N)no2)CCCCC1
InChIInChI=1S/C10H18N4O/c11-7-10(4-2-1-3-5-10)6-8-13-9(12)14-15-8/h1-7,11H2,(H2,12,14)
InChIKeyBECOPFWFJBWGQV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds3

About 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine

5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 65417050) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID65417050
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
SMILESNCC1(Cc2nc(N)no2)CCCCC1
InChIInChI=1S/C10H18N4O/c11-7-10(4-2-1-3-5-10)6-8-13-9(12)14-15-8/h1-7,11H2,(H2,12,14)
InChIKeyBECOPFWFJBWGQV-UHFFFAOYSA-N
XLogP1.10
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806335
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
[1-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 65330933
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120838338
[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
CID 120836940
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161030
[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine
CID 82503873
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine (CID 65417050) is 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine is NCC1(Cc2nc(N)no2)CCCCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is BECOPFWFJBWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-7-10(4-2-1-3-5-10)6-8-13-9(12)14-15-8/h1-7,11H2,(H2,12,14).
What are the key properties of 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine?
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 210.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65417050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).