5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol

C14H30N2O — CID 163770691

IUPAC5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol
SMILESCCCNCCC/C=C/CNCCCCCO
InChIInChI=1S/C14H30N2O/c1-2-10-15-11-6-3-4-7-12-16-13-8-5-9-14-17/h4,7,15-17H,2-3,5-6,8-14H2,1H3/b7-4+
InChIKeyMGDPQMBOINYCOM-QPJJXVBHSA-N
MW242.41 g/mol
LogP2.07
Rot. Bonds13

About 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol

5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol (PubChem CID 163770691) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol
PubChem CID163770691
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol
SMILESCCCNCCC/C=C/CNCCCCCO
InChIInChI=1S/C14H30N2O/c1-2-10-15-11-6-3-4-7-12-16-13-8-5-9-14-17/h4,7,15-17H,2-3,5-6,8-14H2,1H3/b7-4+
InChIKeyMGDPQMBOINYCOM-QPJJXVBHSA-N
XLogP2.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol?
The IUPAC name of 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol (CID 163770691) is 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol is CCCNCCC/C=C/CNCCCCCO.
What is the InChIKey of 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol?
The InChIKey is MGDPQMBOINYCOM-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H30N2O/c1-2-10-15-11-6-3-4-7-12-16-13-8-5-9-14-17/h4,7,15-17H,2-3,5-6,8-14H2,1H3/b7-4+.
What are the key properties of 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol?
5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.07, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-6-(propylamino)hex-2-enyl]amino]pentan-1-ol is sourced from PubChem (CID 163770691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).