(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine

C8H15NO — CID 137484755

IUPAC(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
SMILESC=C(N)/C(C)=C(\CC)OC
InChIInChI=1S/C8H15NO/c1-5-8(10-4)6(2)7(3)9/h3,5,9H2,1-2,4H3/b8-6+
InChIKeyTYKIMKBIHPPNOP-SOFGYWHQSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds3

About (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine

(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine (PubChem CID 137484755) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
PubChem CID137484755
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
SMILESC=C(N)/C(C)=C(\CC)OC
InChIInChI=1S/C8H15NO/c1-5-8(10-4)6(2)7(3)9/h3,5,9H2,1-2,4H3/b8-6+
InChIKeyTYKIMKBIHPPNOP-SOFGYWHQSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.79
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 (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine (CID 137484755) is (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine is C=C(N)/C(C)=C(\CC)OC.
What is the InChIKey of (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine?
The InChIKey is TYKIMKBIHPPNOP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(10-4)6(2)7(3)9/h3,5,9H2,1-2,4H3/b8-6+.
What are the key properties of (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine?
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 137484755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).