N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C13H24N4O — CID 106614526

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCc1nnc(CN(CC2CCCN2)C(C)C)o1
InChIInChI=1S/C13H24N4O/c1-4-12-15-16-13(18-12)9-17(10(2)3)8-11-6-5-7-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyUIBJVUDQAOVHPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds6

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106614526) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106614526
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCc1nnc(CN(CC2CCCN2)C(C)C)o1
InChIInChI=1S/C13H24N4O/c1-4-12-15-16-13(18-12)9-17(10(2)3)8-11-6-5-7-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyUIBJVUDQAOVHPH-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
2-ethyl-5-(piperidin-2-ylmethoxymethyl)-1,3,4-oxadiazole
CID 62341250
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616429
N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106614526) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CCc1nnc(CN(CC2CCCN2)C(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is UIBJVUDQAOVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-12-15-16-13(18-12)9-17(10(2)3)8-11-6-5-7-14-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).