2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine

C12H21N3O — CID 43559704

IUPAC2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)(N)c1noc(C2CC2)n1
InChIInChI=1S/C12H21N3O/c1-8(2)6-7-12(3,13)11-14-10(16-15-11)9-4-5-9/h8-9H,4-7,13H2,1-3H3
InChIKeyILTFSZMBYPAORU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds5

About 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine

2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine (PubChem CID 43559704) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
PubChem CID43559704
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)(N)c1noc(C2CC2)n1
InChIInChI=1S/C12H21N3O/c1-8(2)6-7-12(3,13)11-14-10(16-15-11)9-4-5-9/h8-9H,4-7,13H2,1-3H3
InChIKeyILTFSZMBYPAORU-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine?
The IUPAC name of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine (CID 43559704) is 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine?
The canonical SMILES for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine is CC(C)CCC(C)(N)c1noc(C2CC2)n1.
What is the InChIKey of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine?
The InChIKey is ILTFSZMBYPAORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)6-7-12(3,13)11-14-10(16-15-11)9-4-5-9/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine?
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine is sourced from PubChem (CID 43559704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).