[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C15H26N4O — CID 116808128

IUPAC[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1(c2nc(N3CCCCCC3)no2)CCCCC1
InChIInChI=1S/C15H26N4O/c16-12-15(8-4-3-5-9-15)13-17-14(18-20-13)19-10-6-1-2-7-11-19/h1-12,16H2
InChIKeyTYKNJJITLOHZIA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds3

About [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 116808128) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID116808128
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1(c2nc(N3CCCCCC3)no2)CCCCC1
InChIInChI=1S/C15H26N4O/c16-12-15(8-4-3-5-9-15)13-17-14(18-20-13)19-10-6-1-2-7-11-19/h1-12,16H2
InChIKeyTYKNJJITLOHZIA-UHFFFAOYSA-N
XLogP2.61
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
[1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 116807476
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116807650
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540

Frequently Asked Questions

What is the IUPAC name of [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 116808128) is [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is NCC1(c2nc(N3CCCCCC3)no2)CCCCC1.
What is the InChIKey of [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is TYKNJJITLOHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c16-12-15(8-4-3-5-9-15)13-17-14(18-20-13)19-10-6-1-2-7-11-19/h1-12,16H2.
What are the key properties of [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 116808128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).