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

C17H31N3O — CID 106483396

IUPAC2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CCC(C)C)no1
InChIInChI=1S/C17H31N3O/c1-4-11-18-15-8-6-5-7-14(15)12-17-19-16(20-21-17)10-9-13(2)3/h13-15,18H,4-12H2,1-3H3
InChIKeyZSPIYWATHLSTMB-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds8

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

2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (PubChem CID 106483396) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
PubChem CID106483396
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CCC(C)C)no1
InChIInChI=1S/C17H31N3O/c1-4-11-18-15-8-6-5-7-14(15)12-17-19-16(20-21-17)10-9-13(2)3/h13-15,18H,4-12H2,1-3H3
InChIKeyZSPIYWATHLSTMB-UHFFFAOYSA-N
XLogP3.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483455
2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483445
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483353
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200418
N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
N-methyl-2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 55203203
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (CID 106483396) is 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1nc(CCC(C)C)no1.
What is the InChIKey of 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is ZSPIYWATHLSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-11-18-15-8-6-5-7-14(15)12-17-19-16(20-21-17)10-9-13(2)3/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106483396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).