N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C14H25N3O — CID 65424237

IUPACN-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-4-15-9-13-16-14(17-18-13)12-7-5-11(6-8-12)10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyDQRXJHNAXNQUFT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds5

About N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 65424237) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID65424237
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-4-15-9-13-16-14(17-18-13)12-7-5-11(6-8-12)10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyDQRXJHNAXNQUFT-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65422880
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65401399
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401601
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
1,1,1-trifluoro-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65402209
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 65424237) is N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCNCc1nc(C2CCC(C(C)C)CC2)no1.
What is the InChIKey of N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is DQRXJHNAXNQUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-15-9-13-16-14(17-18-13)12-7-5-11(6-8-12)10(2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).