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

C11H21N3O — CID 107911627

IUPAC5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
SMILESCc1nc(CNC(C)CCC(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(2)5-6-9(3)12-7-11-13-10(4)15-14-11/h8-9,12H,5-7H2,1-4H3
InChIKeyRQFPORDHPRMSJA-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.29
Rot. Bonds6

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

5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine (PubChem CID 107911627) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
PubChem CID107911627
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
SMILESCc1nc(CNC(C)CCC(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(2)5-6-9(3)12-7-11-13-10(4)15-14-11/h8-9,12H,5-7H2,1-4H3
InChIKeyRQFPORDHPRMSJA-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 63927515
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
CID 60689913
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine (CID 107911627) is 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine is Cc1nc(CNC(C)CCC(C)C)no1.
What is the InChIKey of 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine?
The InChIKey is RQFPORDHPRMSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)5-6-9(3)12-7-11-13-10(4)15-14-11/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine?
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 107911627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).