(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C13H23N3O — CID 95154008

IUPAC(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@@H](C)N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-10(13-14-11(2)15-17-13)16(3)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyDCELEGLMGMCFBY-SNVBAGLBSA-N
MW237.35 g/mol
LogP2.95
Rot. Bonds4

About (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 95154008) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID95154008
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@@H](C)N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-10(13-14-11(2)15-17-13)16(3)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyDCELEGLMGMCFBY-SNVBAGLBSA-N
XLogP2.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N-methylpropan-2-amine
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CID 95344493
2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol
CID 109397889
(2R)-1-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95341243
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
CID 89185724
N-(cyclohexylmethyl)-1-iodo-N-methylethanamine
CID 154988433
N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
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N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
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4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 60504443

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 95154008) is (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc([C@@H](C)N(C)CC2CCCCC2)n1.
What is the InChIKey of (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is DCELEGLMGMCFBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(13-14-11(2)15-17-13)16(3)9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 95154008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).