2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine

C11H23NO — CID 102640614

IUPAC2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC
InChIInChI=1S/C11H23NO/c1-5-11(2,10-12-3)8-6-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyMJHGERZMUDLJQJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine

2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine (PubChem CID 102640614) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
PubChem CID102640614
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC
InChIInChI=1S/C11H23NO/c1-5-11(2,10-12-3)8-6-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyMJHGERZMUDLJQJ-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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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Related Compounds

6-Methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
CID 170682423
2-Ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102640436
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576
N,2-dimethyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640580
2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
CID 102640586
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744
N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640746
2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 102640778
2-ethenyl-5-ethoxy-2-methyl-N-propylpentan-1-amine
CID 102640856
2-ethenyl-5-methoxy-2-methyl-N-propylpentan-1-amine
CID 102640908

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine?
The IUPAC name of 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine (CID 102640614) is 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine.
What is the SMILES notation for 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine?
The canonical SMILES for 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine is C=CC(C)(CCCCOC)CNC.
What is the InChIKey of 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine?
The InChIKey is MJHGERZMUDLJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(2,10-12-3)8-6-7-9-13-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine?
2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine is sourced from PubChem (CID 102640614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).