4-aminocyclohexan-1-one;ethane

C8H17NO — CID 142287565

IUPAC4-aminocyclohexan-1-one;ethane
SMILESCC.NC1CCC(=O)CC1
InChIInChI=1S/C6H11NO.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h5H,1-4,7H2;1-2H3
InChIKeyFHFAWINYHTVPIM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds

About 4-aminocyclohexan-1-one;ethane

4-aminocyclohexan-1-one;ethane (PubChem CID 142287565) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-aminocyclohexan-1-one;ethane.

Molecular Properties

Compound Name4-aminocyclohexan-1-one;ethane
PubChem CID142287565
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-aminocyclohexan-1-one;ethane
SMILESCC.NC1CCC(=O)CC1
InChIInChI=1S/C6H11NO.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h5H,1-4,7H2;1-2H3
InChIKeyFHFAWINYHTVPIM-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-one;ethane?
The IUPAC name of 4-aminocyclohexan-1-one;ethane (CID 142287565) is 4-aminocyclohexan-1-one;ethane.
What is the SMILES notation for 4-aminocyclohexan-1-one;ethane?
The canonical SMILES for 4-aminocyclohexan-1-one;ethane is CC.NC1CCC(=O)CC1.
What is the InChIKey of 4-aminocyclohexan-1-one;ethane?
The InChIKey is FHFAWINYHTVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h5H,1-4,7H2;1-2H3.
What are the key properties of 4-aminocyclohexan-1-one;ethane?
4-aminocyclohexan-1-one;ethane has a molecular weight of 143.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexan-1-one;ethane is sourced from PubChem (CID 142287565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).