N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine

C11H23NO2 — CID 103074418

IUPACN-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCOC
InChIInChI=1S/C11H23NO2/c1-10(8-12-11(2,3)4)9-14-7-6-13-5/h12H,1,6-9H2,2-5H3
InChIKeyMSAXOIMAYKVLND-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds7

About N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine (PubChem CID 103074418) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
PubChem CID103074418
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCOC
InChIInChI=1S/C11H23NO2/c1-10(8-12-11(2,3)4)9-14-7-6-13-5/h12H,1,6-9H2,2-5H3
InChIKeyMSAXOIMAYKVLND-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
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-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075029
N-tert-butyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075057
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074317
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine (CID 103074418) is N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCOC.
What is the InChIKey of N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The InChIKey is MSAXOIMAYKVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(8-12-11(2,3)4)9-14-7-6-13-5/h12H,1,6-9H2,2-5H3.
What are the key properties of N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).