(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol

C11H24N2O2 — CID 59728817

IUPAC(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol
SMILESC/C=C/C(C(O)C(COC)NC)N(C)C
InChIInChI=1S/C11H24N2O2/c1-6-7-10(13(3)4)11(14)9(12-2)8-15-5/h6-7,9-12,14H,8H2,1-5H3/b7-6+
InChIKeyCAJISFPDWKWNGB-VOTSOKGWSA-N
MW216.32 g/mol
LogP0.09
Rot. Bonds7

About (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol

(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol (PubChem CID 59728817) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol
PubChem CID59728817
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol
SMILESC/C=C/C(C(O)C(COC)NC)N(C)C
InChIInChI=1S/C11H24N2O2/c1-6-7-10(13(3)4)11(14)9(12-2)8-15-5/h6-7,9-12,14H,8H2,1-5H3/b7-6+
InChIKeyCAJISFPDWKWNGB-VOTSOKGWSA-N
XLogP0.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol?
The IUPAC name of (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol (CID 59728817) is (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol.
What is the SMILES notation for (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol?
The canonical SMILES for (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol is C/C=C/C(C(O)C(COC)NC)N(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol?
The InChIKey is CAJISFPDWKWNGB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-7-10(13(3)4)11(14)9(12-2)8-15-5/h6-7,9-12,14H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol?
(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol has a molecular weight of 216.32 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol is sourced from PubChem (CID 59728817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).