1-methoxy-2,7-dimethyloct-7-en-4-amine

C11H23NO — CID 105182477

IUPAC1-methoxy-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(N)CC(C)COC
InChIInChI=1S/C11H23NO/c1-9(2)5-6-11(12)7-10(3)8-13-4/h10-11H,1,5-8,12H2,2-4H3
InChIKeyMKUPCEUJVOPVNJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds7

About 1-methoxy-2,7-dimethyloct-7-en-4-amine

1-methoxy-2,7-dimethyloct-7-en-4-amine (PubChem CID 105182477) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methoxy-2,7-dimethyloct-7-en-4-amine.

Molecular Properties

Compound Name1-methoxy-2,7-dimethyloct-7-en-4-amine
PubChem CID105182477
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-methoxy-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(N)CC(C)COC
InChIInChI=1S/C11H23NO/c1-9(2)5-6-11(12)7-10(3)8-13-4/h10-11H,1,5-8,12H2,2-4H3
InChIKeyMKUPCEUJVOPVNJ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,7-dimethyloct-7-en-4-amine?
The IUPAC name of 1-methoxy-2,7-dimethyloct-7-en-4-amine (CID 105182477) is 1-methoxy-2,7-dimethyloct-7-en-4-amine.
What is the SMILES notation for 1-methoxy-2,7-dimethyloct-7-en-4-amine?
The canonical SMILES for 1-methoxy-2,7-dimethyloct-7-en-4-amine is C=C(C)CCC(N)CC(C)COC.
What is the InChIKey of 1-methoxy-2,7-dimethyloct-7-en-4-amine?
The InChIKey is MKUPCEUJVOPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-6-11(12)7-10(3)8-13-4/h10-11H,1,5-8,12H2,2-4H3.
What are the key properties of 1-methoxy-2,7-dimethyloct-7-en-4-amine?
1-methoxy-2,7-dimethyloct-7-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,7-dimethyloct-7-en-4-amine is sourced from PubChem (CID 105182477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).