2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C13H27NO2 — CID 103074517

IUPAC2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCOCCCC
InChIInChI=1S/C13H27NO2/c1-5-6-7-15-8-9-16-11-13(4)10-14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyTZAMBXIHNGRUDF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.37
Rot. Bonds11

About 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074517) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074517
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCOCCCC
InChIInChI=1S/C13H27NO2/c1-5-6-7-15-8-9-16-11-13(4)10-14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyTZAMBXIHNGRUDF-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.37
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-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
CID 166111982
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64605269
3-(2-methylidenebutoxy)-N-propan-2-ylpropan-1-amine
CID 66045505
N-ethyl-5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine
CID 102928353
5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine
CID 102928582
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074317
2-(methoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074358
N-tert-butyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074359
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074517) is 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCCOCCCC.
What is the InChIKey of 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is TZAMBXIHNGRUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-15-8-9-16-11-13(4)10-14-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).