(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine

C10H19NO — CID 89153797

IUPAC(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine
SMILESC=C(/C=C\C(C)N)OC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(11)6-7-9(2)12-10(3,4)5/h6-8H,2,11H2,1,3-5H3/b7-6-
InChIKeyKTMUDWLHDMUMLT-SREVYHEPSA-N
MW169.27 g/mol
LogP2.22
Rot. Bonds3

About (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine

(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine (PubChem CID 89153797) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine
PubChem CID89153797
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine
SMILESC=C(/C=C\C(C)N)OC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(11)6-7-9(2)12-10(3,4)5/h6-8H,2,11H2,1,3-5H3/b7-6-
InChIKeyKTMUDWLHDMUMLT-SREVYHEPSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.22
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 (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine (CID 89153797) is (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine is C=C(/C=C\C(C)N)OC(C)(C)C.
What is the InChIKey of (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine?
The InChIKey is KTMUDWLHDMUMLT-SREVYHEPSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(11)6-7-9(2)12-10(3,4)5/h6-8H,2,11H2,1,3-5H3/b7-6-.
What are the key properties of (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine?
(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine is sourced from PubChem (CID 89153797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).