2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol

C11H22N2O — CID 171624097

IUPAC2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol
SMILESC/C=C(\C=C/CNC)N(CC)CCO
InChIInChI=1S/C11H22N2O/c1-4-11(7-6-8-12-3)13(5-2)9-10-14/h4,6-7,12,14H,5,8-10H2,1-3H3/b7-6-,11-4+
InChIKeyUWMJTWDVZKSRBT-BJNIYONUSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds7

About 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol

2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol (PubChem CID 171624097) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol
PubChem CID171624097
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol
SMILESC/C=C(\C=C/CNC)N(CC)CCO
InChIInChI=1S/C11H22N2O/c1-4-11(7-6-8-12-3)13(5-2)9-10-14/h4,6-7,12,14H,5,8-10H2,1-3H3/b7-6-,11-4+
InChIKeyUWMJTWDVZKSRBT-BJNIYONUSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
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-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol (CID 171624097) is 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol is C/C=C(\C=C/CNC)N(CC)CCO.
What is the InChIKey of 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol?
The InChIKey is UWMJTWDVZKSRBT-BJNIYONUSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(7-6-8-12-3)13(5-2)9-10-14/h4,6-7,12,14H,5,8-10H2,1-3H3/b7-6-,11-4+.
What are the key properties of 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol?
2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol is sourced from PubChem (CID 171624097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).