1-methoxy-N,4-dimethylpent-4-en-2-amine

C8H17NO — CID 79179788

IUPAC1-methoxy-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(COC)NC
InChIInChI=1S/C8H17NO/c1-7(2)5-8(9-3)6-10-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGWNXNZJRVFPLRG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds5

About 1-methoxy-N,4-dimethylpent-4-en-2-amine

1-methoxy-N,4-dimethylpent-4-en-2-amine (PubChem CID 79179788) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-methoxy-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-methoxy-N,4-dimethylpent-4-en-2-amine
PubChem CID79179788
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-methoxy-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(COC)NC
InChIInChI=1S/C8H17NO/c1-7(2)5-8(9-3)6-10-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGWNXNZJRVFPLRG-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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-N,4-dimethylpent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-methoxy-N,4-dimethylpent-4-en-2-amine (CID 79179788) is 1-methoxy-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-methoxy-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-methoxy-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(COC)NC.
What is the InChIKey of 1-methoxy-N,4-dimethylpent-4-en-2-amine?
The InChIKey is GWNXNZJRVFPLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-8(9-3)6-10-4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 1-methoxy-N,4-dimethylpent-4-en-2-amine?
1-methoxy-N,4-dimethylpent-4-en-2-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 1-methoxy-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 79179788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).