2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C16H27N3O2 — CID 102629582

IUPAC2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc(CC3CCOC3)no2)C1(C)C
InChIInChI=1S/C16H27N3O2/c1-10-13(17)5-4-12(16(10,2)3)15-18-14(19-21-15)8-11-6-7-20-9-11/h10-13H,4-9,17H2,1-3H3
InChIKeyQQNSYFKTUMRGLM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.52
Rot. Bonds3

About 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 102629582) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID102629582
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc(CC3CCOC3)no2)C1(C)C
InChIInChI=1S/C16H27N3O2/c1-10-13(17)5-4-12(16(10,2)3)15-18-14(19-21-15)8-11-6-7-20-9-11/h10-13H,4-9,17H2,1-3H3
InChIKeyQQNSYFKTUMRGLM-UHFFFAOYSA-N
XLogP2.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
CID 102629529
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine
CID 102629557
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
CID 102629560
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103985754
(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915482
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 103988179
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103985614
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911481
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 102629582) is 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CC1C(N)CCC(c2nc(CC3CCOC3)no2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is QQNSYFKTUMRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10-13(17)5-4-12(16(10,2)3)15-18-14(19-21-15)8-11-6-7-20-9-11/h10-13H,4-9,17H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 102629582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).