N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C12H21N3O — CID 63347914

IUPACN-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C12H21N3O/c1-8(2)11-14-12(16-15-11)9-4-6-10(13-3)7-5-9/h8-10,13H,4-7H2,1-3H3
InChIKeyHHWGMKXFKJDCQU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds3

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

N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 63347914) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID63347914
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C12H21N3O/c1-8(2)11-14-12(16-15-11)9-4-6-10(13-3)7-5-9/h8-10,13H,4-7H2,1-3H3
InChIKeyHHWGMKXFKJDCQU-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470
4-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 113391752
N-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137412
3-(1-chloroethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 102661013
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 121098870
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116780982
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 131631949

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 63347914) is N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is CNC1CCC(c2nc(C(C)C)no2)CC1.
What is the InChIKey of N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is HHWGMKXFKJDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11-14-12(16-15-11)9-4-6-10(13-3)7-5-9/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 63347914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).