(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine

C13H25NO — CID 82836926

IUPAC(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+
InChIKeyJYPSKFJWLNPCLL-PKNBQFBNSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds4

About (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine

(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82836926) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82836926
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+
InChIKeyJYPSKFJWLNPCLL-PKNBQFBNSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82836926) is (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine is CC/C(=C\C1CCCO1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is JYPSKFJWLNPCLL-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 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-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82836926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).