(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine

C8H15NO — CID 163804048

IUPAC(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C=C(\COC)NC
InChIInChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5,9H,1,6H2,2-4H3/b8-5+
InChIKeyNHLLFOZAOOSTLP-VMPITWQZSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds4

About (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine

(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine (PubChem CID 163804048) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine
PubChem CID163804048
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C=C(\COC)NC
InChIInChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5,9H,1,6H2,2-4H3/b8-5+
InChIKeyNHLLFOZAOOSTLP-VMPITWQZSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine (CID 163804048) is (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine is C=C(C)/C=C(\COC)NC.
What is the InChIKey of (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine?
The InChIKey is NHLLFOZAOOSTLP-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5,9H,1,6H2,2-4H3/b8-5+.
What are the key properties of (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine?
(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 163804048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).