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

C9H15N3O — CID 60722113

IUPACN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESCCCc1noc(CNC2CC2)n1
InChIInChI=1S/C9H15N3O/c1-2-3-8-11-9(13-12-8)6-10-7-4-5-7/h7,10H,2-6H2,1H3
InChIKeyADAVQPRTLHQGCJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.27
Rot. Bonds5

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

N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 60722113) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID60722113
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESCCCc1noc(CNC2CC2)n1
InChIInChI=1S/C9H15N3O/c1-2-3-8-11-9(13-12-8)6-10-7-4-5-7/h7,10H,2-6H2,1H3
InChIKeyADAVQPRTLHQGCJ-UHFFFAOYSA-N
XLogP1.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 130839463
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348293
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
N-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 79078144
N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 112743560
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632793

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 60722113) is N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is CCCc1noc(CNC2CC2)n1.
What is the InChIKey of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is ADAVQPRTLHQGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-8-11-9(13-12-8)6-10-7-4-5-7/h7,10H,2-6H2,1H3.
What are the key properties of N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 181.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 60722113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).