(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol

C15H23NO — CID 25101789

IUPAC(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol
SMILESCCCC(O)/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C15H23NO/c1-2-5-15(17)10-9-14-7-3-6-13(12-14)8-4-11-16/h3,6-7,9-10,12,15,17H,2,4-5,8,11,16H2,1H3/b10-9+
InChIKeyHEHHAZWIYHQNJM-MDZDMXLPSA-N
MW233.36 g/mol
LogP2.75
Rot. Bonds7

About (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol

(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol (PubChem CID 25101789) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol
PubChem CID25101789
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol
SMILESCCCC(O)/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C15H23NO/c1-2-5-15(17)10-9-14-7-3-6-13(12-14)8-4-11-16/h3,6-7,9-10,12,15,17H,2,4-5,8,11,16H2,1H3/b10-9+
InChIKeyHEHHAZWIYHQNJM-MDZDMXLPSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol?
The IUPAC name of (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol (CID 25101789) is (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol.
What is the SMILES notation for (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol?
The canonical SMILES for (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol is CCCC(O)/C=C/c1cccc(CCCN)c1.
What is the InChIKey of (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol?
The InChIKey is HEHHAZWIYHQNJM-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-5-15(17)10-9-14-7-3-6-13(12-14)8-4-11-16/h3,6-7,9-10,12,15,17H,2,4-5,8,11,16H2,1H3/b10-9+.
What are the key properties of (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol?
(E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol has a molecular weight of 233.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(3-aminopropyl)phenyl]hex-1-en-3-ol is sourced from PubChem (CID 25101789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).