5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol

C13H23NO — CID 70845294

IUPAC5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
SMILESCCCCN(CCC)C1=CC=CC(O)C1
InChIInChI=1S/C13H23NO/c1-3-5-10-14(9-4-2)12-7-6-8-13(15)11-12/h6-8,13,15H,3-5,9-11H2,1-2H3
InChIKeyAIONXNRHNRFMFI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.70
Rot. Bonds6

About 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol

5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol (PubChem CID 70845294) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
PubChem CID70845294
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
SMILESCCCCN(CCC)C1=CC=CC(O)C1
InChIInChI=1S/C13H23NO/c1-3-5-10-14(9-4-2)12-7-6-8-13(15)11-12/h6-8,13,15H,3-5,9-11H2,1-2H3
InChIKeyAIONXNRHNRFMFI-UHFFFAOYSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol (CID 70845294) is 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol is CCCCN(CCC)C1=CC=CC(O)C1.
What is the InChIKey of 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol?
The InChIKey is AIONXNRHNRFMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-10-14(9-4-2)12-7-6-8-13(15)11-12/h6-8,13,15H,3-5,9-11H2,1-2H3.
What are the key properties of 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol?
5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70845294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).