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

C11H21N3O — CID 103931604

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCc1noc(C)n1
InChIInChI=1S/C11H21N3O/c1-4-5-6-9(2)12-8-7-11-13-10(3)15-14-11/h9,12H,4-8H2,1-3H3
InChIKeyWSNBBAKFQSXKBN-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.09
Rot. Bonds7

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (PubChem CID 103931604) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
PubChem CID103931604
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCc1noc(C)n1
InChIInChI=1S/C11H21N3O/c1-4-5-6-9(2)12-8-7-11-13-10(3)15-14-11/h9,12H,4-8H2,1-3H3
InChIKeyWSNBBAKFQSXKBN-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine
CID 103931641
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931631
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-octan-2-ylguanidine
CID 111793775
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 104583920
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
CID 104583094
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106413333

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (CID 103931604) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is CCCCC(C)NCCc1noc(C)n1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The InChIKey is WSNBBAKFQSXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-9(2)12-8-7-11-13-10(3)15-14-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 103931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).