(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol

C13H25NO — CID 143615645

IUPAC(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
SMILESCC/C=C\C(=C/CC)[C@@H](O)CCNCC
InChIInChI=1S/C13H25NO/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3/h7-9,13-15H,4-6,10-11H2,1-3H3/b9-7-,12-8+/t13-/m0/s1
InChIKeyDZCVHNIEGBEAHI-DQIDJNQTSA-N
MW211.35 g/mol
LogP2.65
Rot. Bonds8

About (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol

(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol (PubChem CID 143615645) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol.

Molecular Properties

Compound Name(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
PubChem CID143615645
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
SMILESCC/C=C\C(=C/CC)[C@@H](O)CCNCC
InChIInChI=1S/C13H25NO/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3/h7-9,13-15H,4-6,10-11H2,1-3H3/b9-7-,12-8+/t13-/m0/s1
InChIKeyDZCVHNIEGBEAHI-DQIDJNQTSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The IUPAC name of (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol (CID 143615645) is (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol.
What is the SMILES notation for (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The canonical SMILES for (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol is CC/C=C\C(=C/CC)[C@@H](O)CCNCC.
What is the InChIKey of (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The InChIKey is DZCVHNIEGBEAHI-DQIDJNQTSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3/h7-9,13-15H,4-6,10-11H2,1-3H3/b9-7-,12-8+/t13-/m0/s1.
What are the key properties of (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol is sourced from PubChem (CID 143615645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).