N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride

C18H25ClN4O2 — CID 120751754

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.NCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1
InChIInChI=1S/C18H24N4O2.ClH/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16;/h5-6,9,15H,1-4,7-8,10-12,19H2;1H
InChIKeyNTEDISNLZSKFII-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.83
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride (PubChem CID 120751754) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
PubChem CID120751754
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.NCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1
InChIInChI=1S/C18H24N4O2.ClH/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16;/h5-6,9,15H,1-4,7-8,10-12,19H2;1H
InChIKeyNTEDISNLZSKFII-UHFFFAOYSA-N
XLogP2.83
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
CID 120751745
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-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 120752346
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 120750907
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride (CID 120751754) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride is Cl.NCc1nc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride?
The InChIKey is NTEDISNLZSKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c19-10-18-20-17(21-24-18)12-22(15-3-1-2-4-15)11-13-5-6-16-14(9-13)7-8-23-16;/h5-6,9,15H,1-4,7-8,10-12,19H2;1H.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride is sourced from PubChem (CID 120751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).