(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol

C9H15NO — CID 177062750

IUPAC(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol
SMILESC=C/C=C(\N=C)C(CC)CO
InChIInChI=1S/C9H15NO/c1-4-6-9(10-3)8(5-2)7-11/h4,6,8,11H,1,3,5,7H2,2H3/b9-6-
InChIKeyGBOIKBCROKSBTA-TWGQIWQCSA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds5

About (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol

(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol (PubChem CID 177062750) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol
PubChem CID177062750
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol
SMILESC=C/C=C(\N=C)C(CC)CO
InChIInChI=1S/C9H15NO/c1-4-6-9(10-3)8(5-2)7-11/h4,6,8,11H,1,3,5,7H2,2H3/b9-6-
InChIKeyGBOIKBCROKSBTA-TWGQIWQCSA-N
XLogP1.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol?
The IUPAC name of (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol (CID 177062750) is (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol?
The canonical SMILES for (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol is C=C/C=C(\N=C)C(CC)CO.
What is the InChIKey of (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol?
The InChIKey is GBOIKBCROKSBTA-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9(10-3)8(5-2)7-11/h4,6,8,11H,1,3,5,7H2,2H3/b9-6-.
What are the key properties of (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol?
(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol is sourced from PubChem (CID 177062750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).