N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine

C11H23NO — CID 103074437

IUPACN-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)13-8-10(3)7-12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3
InChIKeyUOFJXVRZQLUNCV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds5

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

N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074437) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074437
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)13-8-10(3)7-12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3
InChIKeyUOFJXVRZQLUNCV-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': '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-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074892
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074931
N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075029
N-tert-butyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075043
N-tert-butyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075057
N-tert-butyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103075211

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine (CID 103074437) is N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COC(C)C.
What is the InChIKey of N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is UOFJXVRZQLUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)13-8-10(3)7-12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 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-(propan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).