2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride

C7H14ClN3O — CID 54592772

IUPAC2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
SMILESCc1noc(C(N)C(C)C)n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4(2)6(8)7-9-5(3)10-11-7;/h4,6H,8H2,1-3H3;1H
InChIKeyRPEADHUJCAGMBO-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride

2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 54592772) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
PubChem CID54592772
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
SMILESCc1noc(C(N)C(C)C)n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4(2)6(8)7-9-5(3)10-11-7;/h4,6H,8H2,1-3H3;1H
InChIKeyRPEADHUJCAGMBO-UHFFFAOYSA-N
XLogP1.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride (CID 54592772) is 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride is Cc1noc(C(N)C(C)C)n1.Cl.
What is the InChIKey of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is RPEADHUJCAGMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-4(2)6(8)7-9-5(3)10-11-7;/h4,6H,8H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 54592772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).