1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C12H22N4O — CID 106962399

IUPAC1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCCC1CCCN(c2nnc(CNC)o2)CC1
InChIInChI=1S/C12H22N4O/c1-3-10-5-4-7-16(8-6-10)12-15-14-11(17-12)9-13-2/h10,13H,3-9H2,1-2H3
InChIKeyKZXXDYGBTLTVPI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.81
Rot. Bonds4

About 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 106962399) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID106962399
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCCC1CCCN(c2nnc(CNC)o2)CC1
InChIInChI=1S/C12H22N4O/c1-3-10-5-4-7-16(8-6-10)12-15-14-11(17-12)9-13-2/h10,13H,3-9H2,1-2H3
InChIKeyKZXXDYGBTLTVPI-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106962406
1-[5-(4-tert-butylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962132
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106969278
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 137336258
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 106962399) is 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CCC1CCCN(c2nnc(CNC)o2)CC1.
What is the InChIKey of 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is KZXXDYGBTLTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10-5-4-7-16(8-6-10)12-15-14-11(17-12)9-13-2/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106962399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).