7-methoxy-N,2-dimethylhept-2-en-4-amine

C10H21NO — CID 79177504

IUPAC7-methoxy-N,2-dimethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)CCCOC
InChIInChI=1S/C10H21NO/c1-9(2)8-10(11-3)6-5-7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyGJQAYFVKTRCMJH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About 7-methoxy-N,2-dimethylhept-2-en-4-amine

7-methoxy-N,2-dimethylhept-2-en-4-amine (PubChem CID 79177504) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 7-methoxy-N,2-dimethylhept-2-en-4-amine.

Molecular Properties

Compound Name7-methoxy-N,2-dimethylhept-2-en-4-amine
PubChem CID79177504
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name7-methoxy-N,2-dimethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)CCCOC
InChIInChI=1S/C10H21NO/c1-9(2)8-10(11-3)6-5-7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyGJQAYFVKTRCMJH-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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 7-methoxy-N,2-dimethylhept-2-en-4-amine?
The IUPAC name of 7-methoxy-N,2-dimethylhept-2-en-4-amine (CID 79177504) is 7-methoxy-N,2-dimethylhept-2-en-4-amine.
What is the SMILES notation for 7-methoxy-N,2-dimethylhept-2-en-4-amine?
The canonical SMILES for 7-methoxy-N,2-dimethylhept-2-en-4-amine is CNC(C=C(C)C)CCCOC.
What is the InChIKey of 7-methoxy-N,2-dimethylhept-2-en-4-amine?
The InChIKey is GJQAYFVKTRCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)8-10(11-3)6-5-7-12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 7-methoxy-N,2-dimethylhept-2-en-4-amine?
7-methoxy-N,2-dimethylhept-2-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2-dimethylhept-2-en-4-amine is sourced from PubChem (CID 79177504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).