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

C14H29NO2 — CID 102641672

IUPAC2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCCOC
InChIInChI=1S/C14H29NO2/c1-5-7-10-17-11-8-14(3,6-2)13-15-9-12-16-4/h6,15H,2,5,7-13H2,1,3-4H3
InChIKeyJTHVYFAYSCLEOT-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.62
Rot. Bonds12

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

2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 102641672) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID102641672
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCCOC
InChIInChI=1S/C14H29NO2/c1-5-7-10-17-11-8-14(3,6-2)13-15-9-12-16-4/h6,15H,2,5,7-13H2,1,3-4H3
InChIKeyJTHVYFAYSCLEOT-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
CID 106457338
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457337
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
CID 103184970
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (CID 102641672) is 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CCOCCCC)CNCCOC.
What is the InChIKey of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is JTHVYFAYSCLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-10-17-11-8-14(3,6-2)13-15-9-12-16-4/h6,15H,2,5,7-13H2,1,3-4H3.
What are the key properties of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102641672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).