(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol

C11H24N2O — CID 88529936

IUPAC(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol
SMILESCCCN(CCN)CC/C=C\CCO
InChIInChI=1S/C11H24N2O/c1-2-8-13(10-7-12)9-5-3-4-6-11-14/h3-4,14H,2,5-12H2,1H3/b4-3-
InChIKeyIFVSTOYUZBFVPI-ARJAWSKDSA-N
MW200.33 g/mol
LogP0.99
Rot. Bonds9

About (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol

(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol (PubChem CID 88529936) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol
PubChem CID88529936
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol
SMILESCCCN(CCN)CC/C=C\CCO
InChIInChI=1S/C11H24N2O/c1-2-8-13(10-7-12)9-5-3-4-6-11-14/h3-4,14H,2,5-12H2,1H3/b4-3-
InChIKeyIFVSTOYUZBFVPI-ARJAWSKDSA-N
XLogP0.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol?
The IUPAC name of (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol (CID 88529936) is (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol.
What is the SMILES notation for (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol?
The canonical SMILES for (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol is CCCN(CCN)CC/C=C\CCO.
What is the InChIKey of (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol?
The InChIKey is IFVSTOYUZBFVPI-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-8-13(10-7-12)9-5-3-4-6-11-14/h3-4,14H,2,5-12H2,1H3/b4-3-.
What are the key properties of (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol?
(Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[2-aminoethyl(propyl)amino]hex-3-en-1-ol is sourced from PubChem (CID 88529936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).