4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one

C14H25NO — CID 116575501

IUPAC4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
SMILESCNC1(CC(=O)CCC2CC2)CCCCC1
InChIInChI=1S/C14H25NO/c1-15-14(9-3-2-4-10-14)11-13(16)8-7-12-5-6-12/h12,15H,2-11H2,1H3
InChIKeyCBOQKVUYVQDGHW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.06
Rot. Bonds6

About 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one

4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one (PubChem CID 116575501) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
PubChem CID116575501
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
SMILESCNC1(CC(=O)CCC2CC2)CCCCC1
InChIInChI=1S/C14H25NO/c1-15-14(9-3-2-4-10-14)11-13(16)8-7-12-5-6-12/h12,15H,2-11H2,1H3
InChIKeyCBOQKVUYVQDGHW-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one?
The IUPAC name of 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one (CID 116575501) is 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one.
What is the SMILES notation for 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one?
The canonical SMILES for 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one is CNC1(CC(=O)CCC2CC2)CCCCC1.
What is the InChIKey of 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one?
The InChIKey is CBOQKVUYVQDGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-14(9-3-2-4-10-14)11-13(16)8-7-12-5-6-12/h12,15H,2-11H2,1H3.
What are the key properties of 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one?
4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one is sourced from PubChem (CID 116575501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).