N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C13H23N3O — CID 106396755

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2ncon2)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-15-9-17-16-13/h9-12,14H,3-8H2,1-2H3
InChIKeyLHSFOCAWJXPQMP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106396755) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID106396755
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2ncon2)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-15-9-17-16-13/h9-12,14H,3-8H2,1-2H3
InChIKeyLHSFOCAWJXPQMP-UHFFFAOYSA-N
XLogP2.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
CID 106396081
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033
3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530
2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106396253
2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106402019
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396532
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 106396755) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCc2ncon2)CC1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is LHSFOCAWJXPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-15-9-17-16-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106396755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).