2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine

C12H25NO — CID 102640421

IUPAC2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-12(4,10-13)7-9-14-8-6-11(2)3/h5,11H,1,6-10,13H2,2-4H3
InChIKeyCVSNXYGXPBVIRM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.59
Rot. Bonds8

About 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine

2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine (PubChem CID 102640421) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
PubChem CID102640421
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-12(4,10-13)7-9-14-8-6-11(2)3/h5,11H,1,6-10,13H2,2-4H3
InChIKeyCVSNXYGXPBVIRM-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.59
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
4-But-3-enoxy-2-methylbutan-1-amine
CID 166908441
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
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-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388
2-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407
2-Ethenyl-4-methoxy-2-methylpentan-1-amine
CID 102640409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine (CID 102640421) is 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine is C=CC(C)(CN)CCOCCC(C)C.
What is the InChIKey of 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine?
The InChIKey is CVSNXYGXPBVIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(4,10-13)7-9-14-8-6-11(2)3/h5,11H,1,6-10,13H2,2-4H3.
What are the key properties of 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine?
2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).