2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

C11H23NO — CID 102641012

IUPAC2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCC
InChIInChI=1S/C11H23NO/c1-6-11(5,9-13-7-2)8-12-10(3)4/h6,10,12H,1,7-9H2,2-5H3
InChIKeyHVVHAGSUUUTJQO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641012) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641012
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCC
InChIInChI=1S/C11H23NO/c1-6-11(5,9-13-7-2)8-12-10(3)4/h6,10,12H,1,7-9H2,2-5H3
InChIKeyHVVHAGSUUUTJQO-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641061
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
CID 102641034
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102641012) is 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)COCC.
What is the InChIKey of 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is HVVHAGSUUUTJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(5,9-13-7-2)8-12-10(3)4/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).