(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone

C16H27NO — CID 116580693

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C16H27NO/c1-2-10-4-3-5-13(8-10)16(18)14-11-6-7-12(9-11)15(14)17/h10-15H,2-9,17H2,1H3
InChIKeyXYTAYCSBMAIRJK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone (PubChem CID 116580693) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
PubChem CID116580693
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C16H27NO/c1-2-10-4-3-5-13(8-10)16(18)14-11-6-7-12(9-11)15(14)17/h10-15H,2-9,17H2,1H3
InChIKeyXYTAYCSBMAIRJK-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
CID 116580723
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
CID 116585944
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
ethyl (1R,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 98135731
(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114976477
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone (CID 116580693) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)C2C3CCC(C3)C2N)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone?
The InChIKey is XYTAYCSBMAIRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-10-4-3-5-13(8-10)16(18)14-11-6-7-12(9-11)15(14)17/h10-15H,2-9,17H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone has a molecular weight of 249.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116580693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).