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

C12H21N3O — CID 106396253

IUPAC2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCc2ncon2)C1
InChIInChI=1S/C12H21N3O/c1-9-3-4-10(2)11(7-9)13-6-5-12-14-8-16-15-12/h8-11,13H,3-7H2,1-2H3
InChIKeyAPHLPZFPOFKSOQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds4

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

2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 106396253) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID106396253
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCc2ncon2)C1
InChIInChI=1S/C12H21N3O/c1-9-3-4-10(2)11(7-9)13-6-5-12-14-8-16-15-12/h8-11,13H,3-7H2,1-2H3
InChIKeyAPHLPZFPOFKSOQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
CID 106396081
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
tert-butyl N-[[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 106395906
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 64775364
3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033
2,5-dimethyl-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761702
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (CID 106396253) is 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is CC1CCC(C)C(NCCc2ncon2)C1.
What is the InChIKey of 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is APHLPZFPOFKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-3-4-10(2)11(7-9)13-6-5-12-14-8-16-15-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106396253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).