(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine

C13H23NO — CID 79341371

IUPAC(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C13H23NO/c1-11(10-14-13(2,3)4)9-12-7-5-6-8-15-12/h6,8-9,12,14H,5,7,10H2,1-4H3/b11-9+
InChIKeyPGPDTSRSQLGXCA-PKNBQFBNSA-N
MW209.33 g/mol
LogP3.01
Rot. Bonds3

About (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine

(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 79341371) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine
PubChem CID79341371
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C13H23NO/c1-11(10-14-13(2,3)4)9-12-7-5-6-8-15-12/h6,8-9,12,14H,5,7,10H2,1-4H3/b11-9+
InChIKeyPGPDTSRSQLGXCA-PKNBQFBNSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine (CID 79341371) is (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine is C/C(=C\C1CCC=CO1)CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is PGPDTSRSQLGXCA-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(10-14-13(2,3)4)9-12-7-5-6-8-15-12/h6,8-9,12,14H,5,7,10H2,1-4H3/b11-9+.
What are the key properties of (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine?
(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).