(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine

C10H18N2O — CID 88957062

IUPAC(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OCCN(C)C
InChIInChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6H,1-2,7-8,11H2,3-4H3/b6-5-
InChIKeyNGGYPACUQYDGHB-WAYWQWQTSA-N
MW182.27 g/mol
LogP1.11
Rot. Bonds6

About (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine

(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine (PubChem CID 88957062) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
PubChem CID88957062
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OCCN(C)C
InChIInChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6H,1-2,7-8,11H2,3-4H3/b6-5-
InChIKeyNGGYPACUQYDGHB-WAYWQWQTSA-N
XLogP1.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine (CID 88957062) is (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OCCN(C)C.
What is the InChIKey of (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine?
The InChIKey is NGGYPACUQYDGHB-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6H,1-2,7-8,11H2,3-4H3/b6-5-.
What are the key properties of (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine?
(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 88957062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).