2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine

C9H19NO — CID 102640350

IUPAC2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCC
InChIInChI=1S/C9H19NO/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3
InChIKeyCXQRIYQGIFQGCE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine

2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 102640350) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID102640350
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCC
InChIInChI=1S/C9H19NO/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3
InChIKeyCXQRIYQGIFQGCE-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
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-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
2-(Methoxymethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682420
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
2,2-Dimethyl-3-pent-4-enoxypropan-1-amine
CID 79628480
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine (CID 102640350) is 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOCC.
What is the InChIKey of 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is CXQRIYQGIFQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3.
What are the key properties of 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine?
2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).