1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

C16H27N3O — CID 106828746

IUPAC1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCC1(c2nc(C3(N)CCCCCC3)no2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-15(9-5-4-6-10-15)14-18-13(19-20-14)16(17)11-7-2-3-8-12-16/h2-12,17H2,1H3
InChIKeyVKEIDFPQCVQYHO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.80
Rot. Bonds2

About 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 106828746) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID106828746
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCC1(c2nc(C3(N)CCCCCC3)no2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-15(9-5-4-6-10-15)14-18-13(19-20-14)16(17)11-7-2-3-8-12-16/h2-12,17H2,1H3
InChIKeyVKEIDFPQCVQYHO-UHFFFAOYSA-N
XLogP3.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860019
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
1-[5-[1-(2-methylpropyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855618
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 120864606
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 106828746) is 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is CC1(c2nc(C3(N)CCCCCC3)no2)CCCCC1.
What is the InChIKey of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is VKEIDFPQCVQYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(9-5-4-6-10-15)14-18-13(19-20-14)16(17)11-7-2-3-8-12-16/h2-12,17H2,1H3.
What are the key properties of 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 106828746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).