(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C15H27N3O — CID 39998277

IUPAC(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc([C@H](C)N(C)CC2CCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-11(2)14-16-15(19-17-14)12(3)18(4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyBETGPFDSCPKITB-LBPRGKRZSA-N
MW265.40 g/mol
LogP3.77
Rot. Bonds5

About (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 39998277) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID39998277
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc([C@H](C)N(C)CC2CCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-11(2)14-16-15(19-17-14)12(3)18(4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyBETGPFDSCPKITB-LBPRGKRZSA-N
XLogP3.77
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 39998277) is (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc([C@H](C)N(C)CC2CCCCC2)n1.
What is the InChIKey of (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is BETGPFDSCPKITB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)14-16-15(19-17-14)12(3)18(4)10-13-8-6-5-7-9-13/h11-13H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 39998277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).