(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol

C11H21NO — CID 142920413

IUPAC(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol
SMILESCC/C=C\C(=C/CC)C(O)CNC
InChIInChI=1S/C11H21NO/c1-4-6-8-10(7-5-2)11(13)9-12-3/h6-8,11-13H,4-5,9H2,1-3H3/b8-6-,10-7+
InChIKeyCQAIIATXBYHSNW-GOOBONSCSA-N
MW183.29 g/mol
LogP1.87
Rot. Bonds6

About (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol

(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol (PubChem CID 142920413) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol
PubChem CID142920413
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol
SMILESCC/C=C\C(=C/CC)C(O)CNC
InChIInChI=1S/C11H21NO/c1-4-6-8-10(7-5-2)11(13)9-12-3/h6-8,11-13H,4-5,9H2,1-3H3/b8-6-,10-7+
InChIKeyCQAIIATXBYHSNW-GOOBONSCSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol?
The IUPAC name of (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol (CID 142920413) is (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol.
What is the SMILES notation for (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol?
The canonical SMILES for (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol is CC/C=C\C(=C/CC)C(O)CNC.
What is the InChIKey of (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol?
The InChIKey is CQAIIATXBYHSNW-GOOBONSCSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-8-10(7-5-2)11(13)9-12-3/h6-8,11-13H,4-5,9H2,1-3H3/b8-6-,10-7+.
What are the key properties of (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol?
(Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-1-(methylamino)-3-propylidenehept-4-en-2-ol is sourced from PubChem (CID 142920413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).