8-methoxy-N-methyloct-1-en-2-amine

C10H21NO — CID 171071333

IUPAC8-methoxy-N-methyloct-1-en-2-amine
SMILESC=C(CCCCCCOC)NC
InChIInChI=1S/C10H21NO/c1-10(11-2)8-6-4-5-7-9-12-3/h11H,1,4-9H2,2-3H3
InChIKeyVYJMSQLSRJHLDD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds8

About 8-methoxy-N-methyloct-1-en-2-amine

8-methoxy-N-methyloct-1-en-2-amine (PubChem CID 171071333) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 8-methoxy-N-methyloct-1-en-2-amine.

Molecular Properties

Compound Name8-methoxy-N-methyloct-1-en-2-amine
PubChem CID171071333
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name8-methoxy-N-methyloct-1-en-2-amine
SMILESC=C(CCCCCCOC)NC
InChIInChI=1S/C10H21NO/c1-10(11-2)8-6-4-5-7-9-12-3/h11H,1,4-9H2,2-3H3
InChIKeyVYJMSQLSRJHLDD-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyloct-1-en-2-amine?
The IUPAC name of 8-methoxy-N-methyloct-1-en-2-amine (CID 171071333) is 8-methoxy-N-methyloct-1-en-2-amine.
What is the SMILES notation for 8-methoxy-N-methyloct-1-en-2-amine?
The canonical SMILES for 8-methoxy-N-methyloct-1-en-2-amine is C=C(CCCCCCOC)NC.
What is the InChIKey of 8-methoxy-N-methyloct-1-en-2-amine?
The InChIKey is VYJMSQLSRJHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(11-2)8-6-4-5-7-9-12-3/h11H,1,4-9H2,2-3H3.
What are the key properties of 8-methoxy-N-methyloct-1-en-2-amine?
8-methoxy-N-methyloct-1-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyloct-1-en-2-amine is sourced from PubChem (CID 171071333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).