2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol

C12H24N2O — CID 129262282

IUPAC2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol
SMILESC/C=C(\C=C/CC)N(CCO)CCNC
InChIInChI=1S/C12H24N2O/c1-4-6-7-12(5-2)14(10-11-15)9-8-13-3/h5-7,13,15H,4,8-11H2,1-3H3/b7-6-,12-5+
InChIKeyHOUUHIZGPACVOZ-BZNMCICSSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds8

About 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol

2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol (PubChem CID 129262282) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol
PubChem CID129262282
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol
SMILESC/C=C(\C=C/CC)N(CCO)CCNC
InChIInChI=1S/C12H24N2O/c1-4-6-7-12(5-2)14(10-11-15)9-8-13-3/h5-7,13,15H,4,8-11H2,1-3H3/b7-6-,12-5+
InChIKeyHOUUHIZGPACVOZ-BZNMCICSSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol?
The IUPAC name of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol (CID 129262282) is 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol is C/C=C(\C=C/CC)N(CCO)CCNC.
What is the InChIKey of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol?
The InChIKey is HOUUHIZGPACVOZ-BZNMCICSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-7-12(5-2)14(10-11-15)9-8-13-3/h5-7,13,15H,4,8-11H2,1-3H3/b7-6-,12-5+.
What are the key properties of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol?
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol is sourced from PubChem (CID 129262282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).