N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine

C18H24N4O3 — CID 120751745

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
SMILESNCc1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)no1
InChIInChI=1S/C18H24N4O3/c19-9-18-20-17(21-25-18)11-22(14-4-2-1-3-5-14)10-13-6-7-15-16(8-13)24-12-23-15/h6-8,14H,1-5,9-12,19H2
InChIKeyRFCGMRAMONKXFL-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.59
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine (PubChem CID 120751745) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
PubChem CID120751745
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
SMILESNCc1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)no1
InChIInChI=1S/C18H24N4O3/c19-9-18-20-17(21-25-18)11-22(14-4-2-1-3-5-14)10-13-6-7-15-16(8-13)24-12-23-15/h6-8,14H,1-5,9-12,19H2
InChIKeyRFCGMRAMONKXFL-UHFFFAOYSA-N
XLogP2.59
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
CID 120751755
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
CID 120751754
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 120752346
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine;hydrochloride
CID 120750920
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
CID 120750917
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
CID 30588730
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 120750907
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
CID 142934649
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine (CID 120751745) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine is NCc1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine?
The InChIKey is RFCGMRAMONKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-9-18-20-17(21-25-18)11-22(14-4-2-1-3-5-14)10-13-6-7-15-16(8-13)24-12-23-15/h6-8,14H,1-5,9-12,19H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine has a molecular weight of 344.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine is sourced from PubChem (CID 120751745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).