4-(dibutylamino)cyclohexan-1-one

C14H27NO — CID 114762022

IUPAC4-(dibutylamino)cyclohexan-1-one
SMILESCCCCN(CCCC)C1CCC(=O)CC1
InChIInChI=1S/C14H27NO/c1-3-5-11-15(12-6-4-2)13-7-9-14(16)10-8-13/h13H,3-12H2,1-2H3
InChIKeyUOOURMOIZQOECU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.40
Rot. Bonds7

About 4-(dibutylamino)cyclohexan-1-one

4-(dibutylamino)cyclohexan-1-one (PubChem CID 114762022) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(dibutylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dibutylamino)cyclohexan-1-one
PubChem CID114762022
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(dibutylamino)cyclohexan-1-one
SMILESCCCCN(CCCC)C1CCC(=O)CC1
InChIInChI=1S/C14H27NO/c1-3-5-11-15(12-6-4-2)13-7-9-14(16)10-8-13/h13H,3-12H2,1-2H3
InChIKeyUOOURMOIZQOECU-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)cyclohexan-1-one?
The IUPAC name of 4-(dibutylamino)cyclohexan-1-one (CID 114762022) is 4-(dibutylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(dibutylamino)cyclohexan-1-one?
The canonical SMILES for 4-(dibutylamino)cyclohexan-1-one is CCCCN(CCCC)C1CCC(=O)CC1.
What is the InChIKey of 4-(dibutylamino)cyclohexan-1-one?
The InChIKey is UOOURMOIZQOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-11-15(12-6-4-2)13-7-9-14(16)10-8-13/h13H,3-12H2,1-2H3.
What are the key properties of 4-(dibutylamino)cyclohexan-1-one?
4-(dibutylamino)cyclohexan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)cyclohexan-1-one is sourced from PubChem (CID 114762022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).