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

Name: 5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₃NO — CID 70845294

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
PubChem CID	70845294
Molecular Formula	C₁₃H₂₃NO
Molecular Weight	209.33 g/mol
Exact Mass	209.18
IUPAC Name	5-[butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
SMILES	CCCCN(CCC)C1=CC=CC(O)C1
InChI	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
InChIKey	AIONXNRHNRFMFI-UHFFFAOYSA-N
XLogP	2.70
TPSA	23.47 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.33
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 70845294 — identifiers, structure, computed properties (public domain)

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