(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol

C9H15NO — CID 89208831

IUPAC(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C(/C=C(\C=C/N)CC)CO
InChIInChI=1S/C9H15NO/c1-3-9(4-5-10)6-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-
InChIKeyMTQOKSIVYKELID-WXOLFVLTSA-N
MW153.22 g/mol
LogP1.34
Rot. Bonds4

About (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol

(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol (PubChem CID 89208831) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
PubChem CID89208831
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C(/C=C(\C=C/N)CC)CO
InChIInChI=1S/C9H15NO/c1-3-9(4-5-10)6-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-
InChIKeyMTQOKSIVYKELID-WXOLFVLTSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.34
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 (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol?
The IUPAC name of (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol (CID 89208831) is (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol?
The canonical SMILES for (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol is C=C(/C=C(\C=C/N)CC)CO.
What is the InChIKey of (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol?
The InChIKey is MTQOKSIVYKELID-WXOLFVLTSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(4-5-10)6-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-.
What are the key properties of (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol?
(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol is sourced from PubChem (CID 89208831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).