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

C12H23ClN4O — CID 119931658

IUPAC2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCCN(Cc1nc(C(C)(C)N)no1)CC1CC1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-4-16(7-9-5-6-9)8-10-14-11(15-17-10)12(2,3)13;/h9H,4-8,13H2,1-3H3;1H
InChIKeyLIZGBNCOCXBEPC-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.92
Rot. Bonds6

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

2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 119931658) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID119931658
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCCN(Cc1nc(C(C)(C)N)no1)CC1CC1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-4-16(7-9-5-6-9)8-10-14-11(15-17-10)12(2,3)13;/h9H,4-8,13H2,1-3H3;1H
InChIKeyLIZGBNCOCXBEPC-UHFFFAOYSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 119931658) is 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CCN(Cc1nc(C(C)(C)N)no1)CC1CC1.Cl.
What is the InChIKey of 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is LIZGBNCOCXBEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-4-16(7-9-5-6-9)8-10-14-11(15-17-10)12(2,3)13;/h9H,4-8,13H2,1-3H3;1H.
What are the key properties of 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 119931658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).