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

C14H26N4O — CID 106961278

IUPAC2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCCC(C)CC2)o1
InChIInChI=1S/C14H26N4O/c1-11(2)9-15-10-13-16-17-14(19-13)18-7-4-5-12(3)6-8-18/h11-12,15H,4-10H2,1-3H3
InChIKeyLJNBYCBBKFMFHJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.44
Rot. Bonds5

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

2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106961278) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106961278
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCCC(C)CC2)o1
InChIInChI=1S/C14H26N4O/c1-11(2)9-15-10-13-16-17-14(19-13)18-7-4-5-12(3)6-8-18/h11-12,15H,4-10H2,1-3H3
InChIKeyLJNBYCBBKFMFHJ-UHFFFAOYSA-N
XLogP2.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106961278) is 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(N2CCCC(C)CC2)o1.
What is the InChIKey of 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is LJNBYCBBKFMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-15-10-13-16-17-14(19-13)18-7-4-5-12(3)6-8-18/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106961278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).