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

C14H23N3O — CID 47027367

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
SMILESCC(C)C(C)N(Cc1nc(C2CC2)no1)C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)10(3)17(12-6-7-12)8-13-15-14(16-18-13)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyFQRVYNJVXGBWLU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.96
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine (PubChem CID 47027367) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
PubChem CID47027367
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
SMILESCC(C)C(C)N(Cc1nc(C2CC2)no1)C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)10(3)17(12-6-7-12)8-13-15-14(16-18-13)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyFQRVYNJVXGBWLU-UHFFFAOYSA-N
XLogP2.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016177
2-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl-cyclopropylamino]-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 97246188
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine (CID 47027367) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine is CC(C)C(C)N(Cc1nc(C2CC2)no1)C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine?
The InChIKey is FQRVYNJVXGBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)10(3)17(12-6-7-12)8-13-15-14(16-18-13)11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine is sourced from PubChem (CID 47027367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).