2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine

C12H25NO — CID 102640778

IUPAC2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNCC
InChIInChI=1S/C12H25NO/c1-5-12(3,11-13-6-2)9-7-8-10-14-4/h5,13H,1,6-11H2,2-4H3
InChIKeyMFJSZOYOLBZDAL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine

2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine (PubChem CID 102640778) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
PubChem CID102640778
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNCC
InChIInChI=1S/C12H25NO/c1-5-12(3,11-13-6-2)9-7-8-10-14-4/h5,13H,1,6-11H2,2-4H3
InChIKeyMFJSZOYOLBZDAL-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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

2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
CID 134386348
N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
CID 167027452
6-pent-4-enoxy-N-propylhexan-1-amine
CID 79112704
N-ethyl-6-pent-4-enoxyhexan-1-amine
CID 79114101
N-(2-methylpropyl)-6-pent-4-enoxyhexan-1-amine
CID 79114411
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-6-methoxy-N,2-dimethylhexan-1-amine
CID 102640614
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640707

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine (CID 102640778) is 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine is C=CC(C)(CCCCOC)CNCC.
What is the InChIKey of 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The InChIKey is MFJSZOYOLBZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(3,11-13-6-2)9-7-8-10-14-4/h5,13H,1,6-11H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine is sourced from PubChem (CID 102640778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).