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

C10H18N2O — CID 145113420

IUPAC(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H18N2O/c1-9(5-6-10(2)13)12(4)8-7-11-3/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyGKJOOPOLHJNYCO-WAYWQWQTSA-N
MW182.27 g/mol
LogP1.28
Rot. Bonds6

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

(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol (PubChem CID 145113420) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol
PubChem CID145113420
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H18N2O/c1-9(5-6-10(2)13)12(4)8-7-11-3/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyGKJOOPOLHJNYCO-WAYWQWQTSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol (CID 145113420) is (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)N(C)CCNC.
What is the InChIKey of (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol?
The InChIKey is GKJOOPOLHJNYCO-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(5-6-10(2)13)12(4)8-7-11-3/h5-6,11,13H,1-2,7-8H2,3-4H3/b6-5-.
What are the key properties of (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol?
(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 145113420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).