(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol

C8H15NO — CID 134405257

IUPAC(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C(=C\CO)CNCC
InChIInChI=1S/C8H15NO/c1-3-8(5-6-10)7-9-4-2/h3,5,9-10H,1,4,6-7H2,2H3/b8-5+
InChIKeyOVRPDOYWWOAZDJ-VMPITWQZSA-N
MW141.21 g/mol
LogP0.70
Rot. Bonds5

About (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol

(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol (PubChem CID 134405257) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol
PubChem CID134405257
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C(=C\CO)CNCC
InChIInChI=1S/C8H15NO/c1-3-8(5-6-10)7-9-4-2/h3,5,9-10H,1,4,6-7H2,2H3/b8-5+
InChIKeyOVRPDOYWWOAZDJ-VMPITWQZSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.70
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 (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol (CID 134405257) is (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol is C=C/C(=C\CO)CNCC.
What is the InChIKey of (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol?
The InChIKey is OVRPDOYWWOAZDJ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(5-6-10)7-9-4-2/h3,5,9-10H,1,4,6-7H2,2H3/b8-5+.
What are the key properties of (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol?
(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 134405257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).