6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine

C13H25NO — CID 170682423

IUPAC6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCC(CN)(CC=C)CCCCOC
InChIInChI=1S/C13H25NO/c1-4-8-13(12-14,9-5-2)10-6-7-11-15-3/h4-5H,1-2,6-12,14H2,3H3
InChIKeyXHSWWLNFFZVKGU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds10

About 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine

6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine (PubChem CID 170682423) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
PubChem CID170682423
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCC(CN)(CC=C)CCCCOC
InChIInChI=1S/C13H25NO/c1-4-8-13(12-14,9-5-2)10-6-7-11-15-3/h4-5H,1-2,6-12,14H2,3H3
InChIKeyXHSWWLNFFZVKGU-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
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 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine?
The IUPAC name of 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine (CID 170682423) is 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine.
What is the SMILES notation for 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine?
The canonical SMILES for 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine is C=CCC(CN)(CC=C)CCCCOC.
What is the InChIKey of 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine?
The InChIKey is XHSWWLNFFZVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-13(12-14,9-5-2)10-6-7-11-15-3/h4-5H,1-2,6-12,14H2,3H3.
What are the key properties of 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine?
6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-bis(prop-2-enyl)hexan-1-amine is sourced from PubChem (CID 170682423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).