1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one

C14H25NO2 — CID 166977977

IUPAC1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCCCC1NC1CCOCC1
InChIInChI=1S/C14H25NO2/c1-11(16)10-12-4-2-3-5-14(12)15-13-6-8-17-9-7-13/h12-15H,2-10H2,1H3
InChIKeyRVELAEJEWWZHQW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one

1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one (PubChem CID 166977977) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one
PubChem CID166977977
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCCCC1NC1CCOCC1
InChIInChI=1S/C14H25NO2/c1-11(16)10-12-4-2-3-5-14(12)15-13-6-8-17-9-7-13/h12-15H,2-10H2,1H3
InChIKeyRVELAEJEWWZHQW-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one?
The IUPAC name of 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one (CID 166977977) is 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one is CC(=O)CC1CCCCC1NC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one?
The InChIKey is RVELAEJEWWZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(16)10-12-4-2-3-5-14(12)15-13-6-8-17-9-7-13/h12-15H,2-10H2,1H3.
What are the key properties of 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one?
1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylamino)cyclohexyl]propan-2-one is sourced from PubChem (CID 166977977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).