N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

C15H27N3O — CID 65390169

IUPACN-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C15H27N3O/c1-11(2)16-10-7-13-17-14(18-19-13)12-5-8-15(3,4)9-6-12/h11-12,16H,5-10H2,1-4H3
InChIKeyUKHHMJDCBBWLQM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds5

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

N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 65390169) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID65390169
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C15H27N3O/c1-11(2)16-10-7-13-17-14(18-19-13)12-5-8-15(3,4)9-6-12/h11-12,16H,5-10H2,1-4H3
InChIKeyUKHHMJDCBBWLQM-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 65390169) is N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is UKHHMJDCBBWLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)16-10-7-13-17-14(18-19-13)12-5-8-15(3,4)9-6-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65390169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).