(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine

C16H27N3O — CID 65389317

IUPAC(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
SMILESNC(c1nc(C2CCCCCC2)no1)C1CCCCC1
InChIInChI=1S/C16H27N3O/c17-14(12-8-6-3-7-9-12)16-18-15(19-20-16)13-10-4-1-2-5-11-13/h12-14H,1-11,17H2
InChIKeyHBKGLNYPGDJUGB-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.09
Rot. Bonds3

About (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine

(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine (PubChem CID 65389317) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
PubChem CID65389317
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
SMILESNC(c1nc(C2CCCCCC2)no1)C1CCCCC1
InChIInChI=1S/C16H27N3O/c17-14(12-8-6-3-7-9-12)16-18-15(19-20-16)13-10-4-1-2-5-11-13/h12-14H,1-11,17H2
InChIKeyHBKGLNYPGDJUGB-UHFFFAOYSA-N
XLogP4.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 79959997
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
CID 116682608
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 54901778
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024

Frequently Asked Questions

What is the IUPAC name of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The IUPAC name of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine (CID 65389317) is (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine.
What is the SMILES notation for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The canonical SMILES for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine is NC(c1nc(C2CCCCCC2)no1)C1CCCCC1.
What is the InChIKey of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The InChIKey is HBKGLNYPGDJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-14(12-8-6-3-7-9-12)16-18-15(19-20-16)13-10-4-1-2-5-11-13/h12-14H,1-11,17H2.
What are the key properties of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine is sourced from PubChem (CID 65389317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).