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

C11H23NO — CID 103074629

IUPACN-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCC
InChIInChI=1S/C11H23NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h12H,2,6-9H2,1,3-5H3
InChIKeyYBUIGNOLJCYEDZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds6

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

N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine (PubChem CID 103074629) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine
PubChem CID103074629
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCC
InChIInChI=1S/C11H23NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h12H,2,6-9H2,1,3-5H3
InChIKeyYBUIGNOLJCYEDZ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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-(propoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine (CID 103074629) is N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCC.
What is the InChIKey of N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine?
The InChIKey is YBUIGNOLJCYEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h12H,2,6-9H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).