N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine

C14H29NO2 — CID 106457338

IUPACN-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(C)C)CNCCOC
InChIInChI=1S/C14H29NO2/c1-6-14(4,12-15-8-10-16-5)7-9-17-11-13(2)3/h6,13,15H,1,7-12H2,2-5H3
InChIKeyOZYHQSHWUWRUSL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.48
Rot. Bonds11

About N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine

N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine (PubChem CID 106457338) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
PubChem CID106457338
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(C)C)CNCCOC
InChIInChI=1S/C14H29NO2/c1-6-14(4,12-15-8-10-16-5)7-9-17-11-13(2)3/h6,13,15H,1,7-12H2,2-5H3
InChIKeyOZYHQSHWUWRUSL-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.48
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

2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457337
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641763
2-ethyl-N-(2-methoxyethyl)-2,4-dimethylpentan-1-amine
CID 62720062
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine (CID 106457338) is N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine is C=CC(C)(CCOCC(C)C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine?
The InChIKey is OZYHQSHWUWRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-14(4,12-15-8-10-16-5)7-9-17-11-13(2)3/h6,13,15H,1,7-12H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 106457338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).