N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine

C13H26N2 — CID 21092705

IUPACN-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESC/C=C/CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H26N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h6-7,11,14-15H,8-10H2,1-5H3/b7-6+
InChIKeyORJVBCFMQOVQQN-VOTSOKGWSA-N
MW210.36 g/mol
LogP2.46
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 21092705) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID21092705
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESC/C=C/CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H26N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h6-7,11,14-15H,8-10H2,1-5H3/b7-6+
InChIKeyORJVBCFMQOVQQN-VOTSOKGWSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
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 N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 21092705) is N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine is C/C=C/CNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is ORJVBCFMQOVQQN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h6-7,11,14-15H,8-10H2,1-5H3/b7-6+.
What are the key properties of N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 21092705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).