N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

C9H15N3O — CID 62137057

IUPACN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)9-12-11-8(13-9)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3
InChIKeyDALQCQNXTREIOA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.45
Rot. Bonds4

About N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 62137057) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
PubChem CID62137057
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)9-12-11-8(13-9)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3
InChIKeyDALQCQNXTREIOA-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (CID 62137057) is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is CC(C)c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is DALQCQNXTREIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9-12-11-8(13-9)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 181.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62137057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).