2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C13H25ClN4O2 — CID 119932309

IUPAC2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCN(CCOCC1CC1)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-13(2,14)12-15-11(19-16-12)8-17(3)6-7-18-9-10-4-5-10;/h10H,4-9,14H2,1-3H3;1H
InChIKeyLQMQZHMTHSXDKL-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.54
Rot. Bonds8

About 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 119932309) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID119932309
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCN(CCOCC1CC1)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-13(2,14)12-15-11(19-16-12)8-17(3)6-7-18-9-10-4-5-10;/h10H,4-9,14H2,1-3H3;1H
InChIKeyLQMQZHMTHSXDKL-UHFFFAOYSA-N
XLogP1.54
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63236755
2-[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63276008
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931658
2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55227296
2-[5-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929523
2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929443
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
CID 119930437
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
CID 119930799
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63013239

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 119932309) is 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CN(CCOCC1CC1)Cc1nc(C(C)(C)N)no1.Cl.
What is the InChIKey of 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is LQMQZHMTHSXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-13(2,14)12-15-11(19-16-12)8-17(3)6-7-18-9-10-4-5-10;/h10H,4-9,14H2,1-3H3;1H.
What are the key properties of 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 119932309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).