2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

C16H29N3O2 — CID 106483445

IUPAC2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CCCOC)no1
InChIInChI=1S/C16H29N3O2/c1-3-10-17-14-8-5-4-7-13(14)12-16-18-15(19-21-16)9-6-11-20-2/h13-14,17H,3-12H2,1-2H3
InChIKeySCWNVYWIRJWNFL-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.75
Rot. Bonds9

About 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (PubChem CID 106483445) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
PubChem CID106483445
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CCCOC)no1
InChIInChI=1S/C16H29N3O2/c1-3-10-17-14-8-5-4-7-13(14)12-16-18-15(19-21-16)9-6-11-20-2/h13-14,17H,3-12H2,1-2H3
InChIKeySCWNVYWIRJWNFL-UHFFFAOYSA-N
XLogP2.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483396
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483455
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483353
N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
[(1R,2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptyl]methanol
CID 99613956

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (CID 106483445) is 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1nc(CCCOC)no1.
What is the InChIKey of 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is SCWNVYWIRJWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-10-17-14-8-5-4-7-13(14)12-16-18-15(19-21-16)9-6-11-20-2/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106483445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).