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

C17H29N3O — CID 65390483

IUPAC2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCC1(C)CCC(c2noc(C3CCCCCC3N)n2)CC1
InChIInChI=1S/C17H29N3O/c1-17(2)10-8-12(9-11-17)15-19-16(21-20-15)13-6-4-3-5-7-14(13)18/h12-14H,3-11,18H2,1-2H3
InChIKeyZLPHZXDHJKTTKO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.13
Rot. Bonds2

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

2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 65390483) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID65390483
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCC1(C)CCC(c2noc(C3CCCCCC3N)n2)CC1
InChIInChI=1S/C17H29N3O/c1-17(2)10-8-12(9-11-17)15-19-16(21-20-15)13-6-4-3-5-7-14(13)18/h12-14H,3-11,18H2,1-2H3
InChIKeyZLPHZXDHJKTTKO-UHFFFAOYSA-N
XLogP4.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65391078
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 79968590
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65334735
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 65390483) is 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is CC1(C)CCC(c2noc(C3CCCCCC3N)n2)CC1.
What is the InChIKey of 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is ZLPHZXDHJKTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2)10-8-12(9-11-17)15-19-16(21-20-15)13-6-4-3-5-7-14(13)18/h12-14H,3-11,18H2,1-2H3.
What are the key properties of 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 65390483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).