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

C17H27N3O — CID 71609757

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine
SMILESCC(C)Cc1nc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H27N3O/c1-11(2)3-16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3
InChIKeyUPIDCCZRMIHQPU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds5

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

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine (PubChem CID 71609757) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine
PubChem CID71609757
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine
SMILESCC(C)Cc1nc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H27N3O/c1-11(2)3-16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3
InChIKeyUPIDCCZRMIHQPU-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine (CID 71609757) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine is CC(C)Cc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is UPIDCCZRMIHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)3-16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3.
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 71609757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).