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

C13H21N3O2 — CID 116703766

IUPACN-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCCOC(c1noc(CCNC2CC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-2-17-12(9-3-4-9)13-15-11(18-16-13)7-8-14-10-5-6-10/h9-10,12,14H,2-8H2,1H3
InChIKeyKTXCUPOVKMZCDZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.85
Rot. Bonds8

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

N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 116703766) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID116703766
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCCOC(c1noc(CCNC2CC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-2-17-12(9-3-4-9)13-15-11(18-16-13)7-8-14-10-5-6-10/h9-10,12,14H,2-8H2,1H3
InChIKeyKTXCUPOVKMZCDZ-UHFFFAOYSA-N
XLogP1.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703622
1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116733478
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 116703634
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733491
3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole
CID 164636155
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116733466
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483663
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733881
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 116703853

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 116703766) is N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is CCOC(c1noc(CCNC2CC2)n1)C1CC1.
What is the InChIKey of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is KTXCUPOVKMZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-17-12(9-3-4-9)13-15-11(18-16-13)7-8-14-10-5-6-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 116703766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).