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

C14H26N4O — CID 116809428

IUPACN-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC1CCCCC1c1nc(N(C)CC)no1
InChIInChI=1S/C14H26N4O/c1-4-10-15-12-9-7-6-8-11(12)13-16-14(17-19-13)18(3)5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyMFIKCLFVKZZPFJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.55
Rot. Bonds6

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

N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116809428) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
PubChem CID116809428
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC1CCCCC1c1nc(N(C)CC)no1
InChIInChI=1S/C14H26N4O/c1-4-10-15-12-9-7-6-8-11(12)13-16-14(17-19-13)18(3)5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyMFIKCLFVKZZPFJ-UHFFFAOYSA-N
XLogP2.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylcycloheptan-1-amine
CID 63348236
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733253
N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63347136
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcycloheptan-1-amine
CID 115347333
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116808678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine (CID 116809428) is N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine is CCCNC1CCCCC1c1nc(N(C)CC)no1.
What is the InChIKey of N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is MFIKCLFVKZZPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-10-15-12-9-7-6-8-11(12)13-16-14(17-19-13)18(3)5-2/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine?
N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).