N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride

C12H21ClN4O — CID 120751117

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride
SMILESCC(C1CC1)N(Cc1noc(CN)n1)C1CC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8(9-2-3-9)16(10-4-5-10)7-11-14-12(6-13)17-15-11;/h8-10H,2-7,13H2,1H3;1H
InChIKeyAKPMFZWDCHVVCO-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.71
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride (PubChem CID 120751117) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride
PubChem CID120751117
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride
SMILESCC(C1CC1)N(Cc1noc(CN)n1)C1CC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8(9-2-3-9)16(10-4-5-10)7-11-14-12(6-13)17-15-11;/h8-10H,2-7,13H2,1H3;1H
InChIKeyAKPMFZWDCHVVCO-UHFFFAOYSA-N
XLogP1.71
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride (CID 120751117) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride is CC(C1CC1)N(Cc1noc(CN)n1)C1CC1.Cl.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride?
The InChIKey is AKPMFZWDCHVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-8(9-2-3-9)16(10-4-5-10)7-11-14-12(6-13)17-15-11;/h8-10H,2-7,13H2,1H3;1H.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 120751117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).