2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol

C10H18N2O — CID 142382711

IUPAC2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol
SMILESC=C(/C=C\C(=C)N(C)CCO)NC
InChIInChI=1S/C10H18N2O/c1-9(11-3)5-6-10(2)12(4)7-8-13/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyLYLNYZAPIPBJBP-WAYWQWQTSA-N
MW182.27 g/mol
LogP0.71
Rot. Bonds6

About 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol

2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol (PubChem CID 142382711) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol
PubChem CID142382711
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol
SMILESC=C(/C=C\C(=C)N(C)CCO)NC
InChIInChI=1S/C10H18N2O/c1-9(11-3)5-6-10(2)12(4)7-8-13/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyLYLNYZAPIPBJBP-WAYWQWQTSA-N
XLogP0.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.71
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-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol (CID 142382711) is 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol is C=C(/C=C\C(=C)N(C)CCO)NC.
What is the InChIKey of 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol?
The InChIKey is LYLNYZAPIPBJBP-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(11-3)5-6-10(2)12(4)7-8-13/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-.
What are the key properties of 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol?
2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol has a molecular weight of 182.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol is sourced from PubChem (CID 142382711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).