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

C8H17NO — CID 123632659

IUPAC4-methoxy-N,3-dimethylpent-4-en-1-amine
SMILESC=C(OC)C(C)CCNC
InChIInChI=1S/C8H17NO/c1-7(5-6-9-3)8(2)10-4/h7,9H,2,5-6H2,1,3-4H3
InChIKeyLIACSLJPHKONRB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.39
Rot. Bonds5

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

4-methoxy-N,3-dimethylpent-4-en-1-amine (PubChem CID 123632659) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethylpent-4-en-1-amine
PubChem CID123632659
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methoxy-N,3-dimethylpent-4-en-1-amine
SMILESC=C(OC)C(C)CCNC
InChIInChI=1S/C8H17NO/c1-7(5-6-9-3)8(2)10-4/h7,9H,2,5-6H2,1,3-4H3
InChIKeyLIACSLJPHKONRB-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethylpent-4-en-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethylpent-4-en-1-amine (CID 123632659) is 4-methoxy-N,3-dimethylpent-4-en-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethylpent-4-en-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethylpent-4-en-1-amine is C=C(OC)C(C)CCNC.
What is the InChIKey of 4-methoxy-N,3-dimethylpent-4-en-1-amine?
The InChIKey is LIACSLJPHKONRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(5-6-9-3)8(2)10-4/h7,9H,2,5-6H2,1,3-4H3.
What are the key properties of 4-methoxy-N,3-dimethylpent-4-en-1-amine?
4-methoxy-N,3-dimethylpent-4-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethylpent-4-en-1-amine is sourced from PubChem (CID 123632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).