N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine

C16H24N4O — CID 120751143

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCC(C)CN(CCc1ccccc1)Cc1noc(CN)n1
InChIInChI=1S/C16H24N4O/c1-13(2)11-20(9-8-14-6-4-3-5-7-14)12-15-18-16(10-17)21-19-15/h3-7,13H,8-12,17H2,1-2H3
InChIKeyIGEKGXWOQFVGPK-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.23
Rot. Bonds8

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 120751143) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine
PubChem CID120751143
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCC(C)CN(CCc1ccccc1)Cc1noc(CN)n1
InChIInChI=1S/C16H24N4O/c1-13(2)11-20(9-8-14-6-4-3-5-7-14)12-15-18-16(10-17)21-19-15/h3-7,13H,8-12,17H2,1-2H3
InChIKeyIGEKGXWOQFVGPK-UHFFFAOYSA-N
XLogP2.23
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine (CID 120751143) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine is CC(C)CN(CCc1ccccc1)Cc1noc(CN)n1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is IGEKGXWOQFVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)11-20(9-8-14-6-4-3-5-7-14)12-15-18-16(10-17)21-19-15/h3-7,13H,8-12,17H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 120751143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).