2-methoxy-N,2-dimethylhept-6-en-3-amine

C10H21NO — CID 79197556

IUPAC2-methoxy-N,2-dimethylhept-6-en-3-amine
SMILESC=CCCC(NC)C(C)(C)OC
InChIInChI=1S/C10H21NO/c1-6-7-8-9(11-4)10(2,3)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyWYOIIVNKNIEDCN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About 2-methoxy-N,2-dimethylhept-6-en-3-amine

2-methoxy-N,2-dimethylhept-6-en-3-amine (PubChem CID 79197556) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethylhept-6-en-3-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethylhept-6-en-3-amine
PubChem CID79197556
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methoxy-N,2-dimethylhept-6-en-3-amine
SMILESC=CCCC(NC)C(C)(C)OC
InChIInChI=1S/C10H21NO/c1-6-7-8-9(11-4)10(2,3)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyWYOIIVNKNIEDCN-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethylhept-6-en-3-amine?
The IUPAC name of 2-methoxy-N,2-dimethylhept-6-en-3-amine (CID 79197556) is 2-methoxy-N,2-dimethylhept-6-en-3-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethylhept-6-en-3-amine?
The canonical SMILES for 2-methoxy-N,2-dimethylhept-6-en-3-amine is C=CCCC(NC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2-dimethylhept-6-en-3-amine?
The InChIKey is WYOIIVNKNIEDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-8-9(11-4)10(2,3)12-5/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of 2-methoxy-N,2-dimethylhept-6-en-3-amine?
2-methoxy-N,2-dimethylhept-6-en-3-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 2-methoxy-N,2-dimethylhept-6-en-3-amine is sourced from PubChem (CID 79197556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).