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

C11H23NO — CID 102640328

IUPAC2-(2-butoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCCC
InChIInChI=1S/C11H23NO/c1-4-6-8-13-9-7-11(3,5-2)10-12/h5H,2,4,6-10,12H2,1,3H3
InChIKeySZEYGGIDAIVXFE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds8

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

2-(2-butoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 102640328) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID102640328
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(2-butoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCCC
InChIInChI=1S/C11H23NO/c1-4-6-8-13-9-7-11(3,5-2)10-12/h5H,2,4,6-10,12H2,1,3H3
InChIKeySZEYGGIDAIVXFE-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 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 ≤ 52.34
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-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
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-butoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine (CID 102640328) is 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOCCCC.
What is the InChIKey of 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is SZEYGGIDAIVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-8-13-9-7-11(3,5-2)10-12/h5H,2,4,6-10,12H2,1,3H3.
What are the key properties of 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine?
2-(2-butoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).