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

C10H21NO — CID 103074366

IUPACN-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC
InChIInChI=1S/C10H21NO/c1-6-12-8-9(2)7-11-10(3,4)5/h11H,2,6-8H2,1,3-5H3
InChIKeyRAOSFVOGWAWWTD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds5

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

N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine (PubChem CID 103074366) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
PubChem CID103074366
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC
InChIInChI=1S/C10H21NO/c1-6-12-8-9(2)7-11-10(3,4)5/h11H,2,6-8H2,1,3-5H3
InChIKeyRAOSFVOGWAWWTD-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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

3,3-Dimethyl-6-methylidene-1,4-oxazepanehydrochloride
CID 165796768
N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074931
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine (CID 103074366) is N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC.
What is the InChIKey of N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine?
The InChIKey is RAOSFVOGWAWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-12-8-9(2)7-11-10(3,4)5/h11H,2,6-8H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).