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

C13H19N3O — CID 112743560

IUPACN-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nc(C(C2CC2)C2CC2)no1
InChIInChI=1S/C13H19N3O/c1-2-8(1)12(9-3-4-9)13-15-11(17-16-13)7-14-10-5-6-10/h8-10,12,14H,1-7H2
InChIKeyHPMPILBBEGRAAU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds6

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

N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 112743560) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
PubChem CID112743560
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nc(C(C2CC2)C2CC2)no1
InChIInChI=1S/C13H19N3O/c1-2-8(1)12(9-3-4-9)13-15-11(17-16-13)7-14-10-5-6-10/h8-10,12,14H,1-7H2
InChIKeyHPMPILBBEGRAAU-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 130839463
N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 116704048
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 116703766
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 79963502
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60836414
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (CID 112743560) is N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is C(NC1CC1)c1nc(C(C2CC2)C2CC2)no1.
What is the InChIKey of N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HPMPILBBEGRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-8(1)12(9-3-4-9)13-15-11(17-16-13)7-14-10-5-6-10/h8-10,12,14H,1-7H2.
What are the key properties of N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112743560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).