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

C16H29N3O — CID 65402819

IUPACN-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C2CCC(CCC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-6-13-7-9-14(10-8-13)15-18-16(20-19-15)12(3)17-11-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeySIPIYSSRNXYUPI-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.20
Rot. Bonds7

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

N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65402819) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID65402819
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C2CCC(CCC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-6-13-7-9-14(10-8-13)15-18-16(20-19-15)12(3)17-11-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeySIPIYSSRNXYUPI-UHFFFAOYSA-N
XLogP4.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 65402819) is N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nc(C2CCC(CCC)CC2)no1.
What is the InChIKey of N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is SIPIYSSRNXYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-6-13-7-9-14(10-8-13)15-18-16(20-19-15)12(3)17-11-5-2/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65402819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).