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

C12H25NO2 — CID 103074373

IUPACN-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCOCC
InChIInChI=1S/C12H25NO2/c1-6-14-7-8-15-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3
InChIKeyIBGKIEKHKKXQHG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds8

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

N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine (PubChem CID 103074373) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
PubChem CID103074373
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCOCC
InChIInChI=1S/C12H25NO2/c1-6-14-7-8-15-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3
InChIKeyIBGKIEKHKKXQHG-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
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-(octoxymethyl)prop-2-en-1-amine
CID 103074561
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530
2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
CID 103065980
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450
N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103066757
1,2-diethoxyethane;ethene
CID 158825770
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine (CID 103074373) is N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCOCC.
What is the InChIKey of N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The InChIKey is IBGKIEKHKKXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-14-7-8-15-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 8 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-ethoxyethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).