(3E)-4-methoxyhexa-1,3-dien-2-amine

C7H13NO — CID 139378141

IUPAC(3E)-4-methoxyhexa-1,3-dien-2-amine
SMILESC=C(N)/C=C(\CC)OC
InChIInChI=1S/C7H13NO/c1-4-7(9-3)5-6(2)8/h5H,2,4,8H2,1,3H3/b7-5+
InChIKeyLANPKXFEQHKBKD-FNORWQNLSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds3

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

(3E)-4-methoxyhexa-1,3-dien-2-amine (PubChem CID 139378141) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3E)-4-methoxyhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-methoxyhexa-1,3-dien-2-amine
PubChem CID139378141
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3E)-4-methoxyhexa-1,3-dien-2-amine
SMILESC=C(N)/C=C(\CC)OC
InChIInChI=1S/C7H13NO/c1-4-7(9-3)5-6(2)8/h5H,2,4,8H2,1,3H3/b7-5+
InChIKeyLANPKXFEQHKBKD-FNORWQNLSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
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-methoxyhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-4-methoxyhexa-1,3-dien-2-amine (CID 139378141) is (3E)-4-methoxyhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-methoxyhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-methoxyhexa-1,3-dien-2-amine is C=C(N)/C=C(\CC)OC.
What is the InChIKey of (3E)-4-methoxyhexa-1,3-dien-2-amine?
The InChIKey is LANPKXFEQHKBKD-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9-3)5-6(2)8/h5H,2,4,8H2,1,3H3/b7-5+.
What are the key properties of (3E)-4-methoxyhexa-1,3-dien-2-amine?
(3E)-4-methoxyhexa-1,3-dien-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxyhexa-1,3-dien-2-amine is sourced from PubChem (CID 139378141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).