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

C12H21N3O — CID 103931523

IUPAC2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2C)no1
InChIInChI=1S/C12H21N3O/c1-9-5-3-4-6-11(9)13-8-7-12-14-10(2)16-15-12/h9,11,13H,3-8H2,1-2H3
InChIKeyVINKNFZOROEIJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds4

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

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 103931523) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID103931523
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2C)no1
InChIInChI=1S/C12H21N3O/c1-9-5-3-4-6-11(9)13-8-7-12-14-10(2)16-15-12/h9,11,13H,3-8H2,1-2H3
InChIKeyVINKNFZOROEIJY-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 106413869
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106413636
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103931536
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 113243071
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (CID 103931523) is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is Cc1nc(CCNC2CCCCC2C)no1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VINKNFZOROEIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-5-3-4-6-11(9)13-8-7-12-14-10(2)16-15-12/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103931523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).