6-methoxy-4,6-dimethylhept-3-en-1-amine

C10H21NO — CID 76997292

IUPAC6-methoxy-4,6-dimethylhept-3-en-1-amine
SMILESCOC(C)(C)CC(C)=CCCN
InChIInChI=1S/C10H21NO/c1-9(6-5-7-11)8-10(2,3)12-4/h6H,5,7-8,11H2,1-4H3
InChIKeyDYNXEILNRAHYHR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds5

About 6-methoxy-4,6-dimethylhept-3-en-1-amine

6-methoxy-4,6-dimethylhept-3-en-1-amine (PubChem CID 76997292) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-methoxy-4,6-dimethylhept-3-en-1-amine.

Molecular Properties

Compound Name6-methoxy-4,6-dimethylhept-3-en-1-amine
PubChem CID76997292
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-methoxy-4,6-dimethylhept-3-en-1-amine
SMILESCOC(C)(C)CC(C)=CCCN
InChIInChI=1S/C10H21NO/c1-9(6-5-7-11)8-10(2,3)12-4/h6H,5,7-8,11H2,1-4H3
InChIKeyDYNXEILNRAHYHR-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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 6-methoxy-4,6-dimethylhept-3-en-1-amine?
The IUPAC name of 6-methoxy-4,6-dimethylhept-3-en-1-amine (CID 76997292) is 6-methoxy-4,6-dimethylhept-3-en-1-amine.
What is the SMILES notation for 6-methoxy-4,6-dimethylhept-3-en-1-amine?
The canonical SMILES for 6-methoxy-4,6-dimethylhept-3-en-1-amine is COC(C)(C)CC(C)=CCCN.
What is the InChIKey of 6-methoxy-4,6-dimethylhept-3-en-1-amine?
The InChIKey is DYNXEILNRAHYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(6-5-7-11)8-10(2,3)12-4/h6H,5,7-8,11H2,1-4H3.
What are the key properties of 6-methoxy-4,6-dimethylhept-3-en-1-amine?
6-methoxy-4,6-dimethylhept-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,6-dimethylhept-3-en-1-amine is sourced from PubChem (CID 76997292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).