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

C13H27NO — CID 102640678

IUPAC2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCC
InChIInChI=1S/C13H27NO/c1-5-8-10-15-11-9-13(4,6-2)12-14-7-3/h6,14H,2,5,7-12H2,1,3-4H3
InChIKeyWNGPGVFUTYSHTM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds10

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

2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine (PubChem CID 102640678) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
PubChem CID102640678
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNCC
InChIInChI=1S/C13H27NO/c1-5-8-10-15-11-9-13(4,6-2)12-14-7-3/h6,14H,2,5,7-12H2,1,3-4H3
InChIKeyWNGPGVFUTYSHTM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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

N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641752
N-[2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-enyl]cyclopropanamine
CID 113719679
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719697
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine (CID 102640678) is 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine is C=CC(C)(CCOCCCC)CNCC.
What is the InChIKey of 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine?
The InChIKey is WNGPGVFUTYSHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-10-15-11-9-13(4,6-2)12-14-7-3/h6,14H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine?
2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).