(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine

C11H19NO — CID 121263519

IUPAC(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C(\C=C/N)OCC(C)C
InChIInChI=1S/C11H19NO/c1-9(2)7-11(5-6-12)13-8-10(3)4/h5-7,10H,1,8,12H2,2-4H3/b6-5-,11-7+
InChIKeyQGULBJQEYNJXAG-GNLLZQBYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds5

About (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine

(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine (PubChem CID 121263519) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine
PubChem CID121263519
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C(\C=C/N)OCC(C)C
InChIInChI=1S/C11H19NO/c1-9(2)7-11(5-6-12)13-8-10(3)4/h5-7,10H,1,8,12H2,2-4H3/b6-5-,11-7+
InChIKeyQGULBJQEYNJXAG-GNLLZQBYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine (CID 121263519) is (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine is C=C(C)/C=C(\C=C/N)OCC(C)C.
What is the InChIKey of (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine?
The InChIKey is QGULBJQEYNJXAG-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)7-11(5-6-12)13-8-10(3)4/h5-7,10H,1,8,12H2,2-4H3/b6-5-,11-7+.
What are the key properties of (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine?
(1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-methyl-3-(2-methylpropoxy)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 121263519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).