5-methoxy-N,4-dimethylpent-3-en-1-amine

C8H17NO — CID 79599337

IUPAC5-methoxy-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)COC
InChIInChI=1S/C8H17NO/c1-8(7-10-3)5-4-6-9-2/h5,9H,4,6-7H2,1-3H3
InChIKeyYCDPPMNJJYSKRO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds5

About 5-methoxy-N,4-dimethylpent-3-en-1-amine

5-methoxy-N,4-dimethylpent-3-en-1-amine (PubChem CID 79599337) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-methoxy-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name5-methoxy-N,4-dimethylpent-3-en-1-amine
PubChem CID79599337
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-methoxy-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)COC
InChIInChI=1S/C8H17NO/c1-8(7-10-3)5-4-6-9-2/h5,9H,4,6-7H2,1-3H3
InChIKeyYCDPPMNJJYSKRO-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 5-methoxy-N,4-dimethylpent-3-en-1-amine (CID 79599337) is 5-methoxy-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 5-methoxy-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 5-methoxy-N,4-dimethylpent-3-en-1-amine is CNCCC=C(C)COC.
What is the InChIKey of 5-methoxy-N,4-dimethylpent-3-en-1-amine?
The InChIKey is YCDPPMNJJYSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(7-10-3)5-4-6-9-2/h5,9H,4,6-7H2,1-3H3.
What are the key properties of 5-methoxy-N,4-dimethylpent-3-en-1-amine?
5-methoxy-N,4-dimethylpent-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 79599337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).