4-ethylidene-2-(methylamino)hept-5-en-3-ol

C10H19NO — CID 137384240

IUPAC4-ethylidene-2-(methylamino)hept-5-en-3-ol
SMILESCC=CC(=CC)C(O)C(C)NC
InChIInChI=1S/C10H19NO/c1-5-7-9(6-2)10(12)8(3)11-4/h5-8,10-12H,1-4H3
InChIKeyGPWBXYBPLBGLON-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds4

About 4-ethylidene-2-(methylamino)hept-5-en-3-ol

4-ethylidene-2-(methylamino)hept-5-en-3-ol (PubChem CID 137384240) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-ethylidene-2-(methylamino)hept-5-en-3-ol.

Molecular Properties

Compound Name4-ethylidene-2-(methylamino)hept-5-en-3-ol
PubChem CID137384240
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-ethylidene-2-(methylamino)hept-5-en-3-ol
SMILESCC=CC(=CC)C(O)C(C)NC
InChIInChI=1S/C10H19NO/c1-5-7-9(6-2)10(12)8(3)11-4/h5-8,10-12H,1-4H3
InChIKeyGPWBXYBPLBGLON-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2-(methylamino)hept-5-en-3-ol?
The IUPAC name of 4-ethylidene-2-(methylamino)hept-5-en-3-ol (CID 137384240) is 4-ethylidene-2-(methylamino)hept-5-en-3-ol.
What is the SMILES notation for 4-ethylidene-2-(methylamino)hept-5-en-3-ol?
The canonical SMILES for 4-ethylidene-2-(methylamino)hept-5-en-3-ol is CC=CC(=CC)C(O)C(C)NC.
What is the InChIKey of 4-ethylidene-2-(methylamino)hept-5-en-3-ol?
The InChIKey is GPWBXYBPLBGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-9(6-2)10(12)8(3)11-4/h5-8,10-12H,1-4H3.
What are the key properties of 4-ethylidene-2-(methylamino)hept-5-en-3-ol?
4-ethylidene-2-(methylamino)hept-5-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2-(methylamino)hept-5-en-3-ol is sourced from PubChem (CID 137384240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).