(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine

C8H15NO2 — CID 134416518

IUPAC(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C(OC)=C(\COC)NC
InChIInChI=1S/C8H15NO2/c1-5-8(11-4)7(9-2)6-10-3/h5,9H,1,6H2,2-4H3/b8-7-
InChIKeyQBSWLJMYDMTZKK-FPLPWBNLSA-N
MW157.21 g/mol
LogP0.90
Rot. Bonds5

About (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine

(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine (PubChem CID 134416518) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine
PubChem CID134416518
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C(OC)=C(\COC)NC
InChIInChI=1S/C8H15NO2/c1-5-8(11-4)7(9-2)6-10-3/h5,9H,1,6H2,2-4H3/b8-7-
InChIKeyQBSWLJMYDMTZKK-FPLPWBNLSA-N
XLogP0.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.90
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 (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine (CID 134416518) is (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine is C=C/C(OC)=C(\COC)NC.
What is the InChIKey of (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine?
The InChIKey is QBSWLJMYDMTZKK-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(11-4)7(9-2)6-10-3/h5,9H,1,6H2,2-4H3/b8-7-.
What are the key properties of (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine?
(2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine has a molecular weight of 157.21 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,3-dimethoxy-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 134416518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).