N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine

C13H24N2 — CID 134570214

IUPACN-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine
SMILESC=CNCCCCC1CNCC(C=C)C1
InChIInChI=1S/C13H24N2/c1-3-12-9-13(11-15-10-12)7-5-6-8-14-4-2/h3-4,12-15H,1-2,5-11H2
InChIKeyYBQIQHVXKIXVGK-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.30
Rot. Bonds7

About N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine

N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine (PubChem CID 134570214) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine
PubChem CID134570214
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine
SMILESC=CNCCCCC1CNCC(C=C)C1
InChIInChI=1S/C13H24N2/c1-3-12-9-13(11-15-10-12)7-5-6-8-14-4-2/h3-4,12-15H,1-2,5-11H2
InChIKeyYBQIQHVXKIXVGK-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine?
The IUPAC name of N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine (CID 134570214) is N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine.
What is the SMILES notation for N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine?
The canonical SMILES for N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine is C=CNCCCCC1CNCC(C=C)C1.
What is the InChIKey of N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine?
The InChIKey is YBQIQHVXKIXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-12-9-13(11-15-10-12)7-5-6-8-14-4-2/h3-4,12-15H,1-2,5-11H2.
What are the key properties of N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine?
N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine is sourced from PubChem (CID 134570214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).