N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C17H31N3O — CID 65401601

IUPACN-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(C2CCC(C(C)C)CC2)no1)NC
InChIInChI=1S/C17H31N3O/c1-5-6-15(18-4)11-16-19-17(20-21-16)14-9-7-13(8-10-14)12(2)3/h12-15,18H,5-11H2,1-4H3
InChIKeyBKUSRZAJBICEDS-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.93
Rot. Bonds7

About N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65401601) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65401601
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(C2CCC(C(C)C)CC2)no1)NC
InChIInChI=1S/C17H31N3O/c1-5-6-15(18-4)11-16-19-17(20-21-16)14-9-7-13(8-10-14)12(2)3/h12-15,18H,5-11H2,1-4H3
InChIKeyBKUSRZAJBICEDS-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65401601) is N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(Cc1nc(C2CCC(C(C)C)CC2)no1)NC.
What is the InChIKey of N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is BKUSRZAJBICEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-6-15(18-4)11-16-19-17(20-21-16)14-9-7-13(8-10-14)12(2)3/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65401601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).