(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine

C14H25NO — CID 79329235

IUPAC(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C14H25NO/c1-5-12(11-15-14(2,3)4)10-13-8-6-7-9-16-13/h7,9-10,13,15H,5-6,8,11H2,1-4H3/b12-10+
InChIKeyTWQXYIQVEFYMNO-ZRDIBKRKSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds4

About (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine

(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine (PubChem CID 79329235) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
PubChem CID79329235
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C14H25NO/c1-5-12(11-15-14(2,3)4)10-13-8-6-7-9-16-13/h7,9-10,13,15H,5-6,8,11H2,1-4H3/b12-10+
InChIKeyTWQXYIQVEFYMNO-ZRDIBKRKSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
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 (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine (CID 79329235) is (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine is CC/C(=C\C1CCC=CO1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The InChIKey is TWQXYIQVEFYMNO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-12(11-15-14(2,3)4)10-13-8-6-7-9-16-13/h7,9-10,13,15H,5-6,8,11H2,1-4H3/b12-10+.
What are the key properties of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79329235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).