N-but-3-en-2-yl-N-ethylpiperidin-4-amine

C11H22N2 — CID 62382882

IUPACN-but-3-en-2-yl-N-ethylpiperidin-4-amine
SMILESC=CC(C)N(CC)C1CCNCC1
InChIInChI=1S/C11H22N2/c1-4-10(3)13(5-2)11-6-8-12-9-7-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyDDBXDWNKXFWFIA-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.63
Rot. Bonds4

About N-but-3-en-2-yl-N-ethylpiperidin-4-amine

N-but-3-en-2-yl-N-ethylpiperidin-4-amine (PubChem CID 62382882) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-ethylpiperidin-4-amine
PubChem CID62382882
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-but-3-en-2-yl-N-ethylpiperidin-4-amine
SMILESC=CC(C)N(CC)C1CCNCC1
InChIInChI=1S/C11H22N2/c1-4-10(3)13(5-2)11-6-8-12-9-7-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyDDBXDWNKXFWFIA-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.63
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 N-but-3-en-2-yl-N-ethylpiperidin-4-amine?
The IUPAC name of N-but-3-en-2-yl-N-ethylpiperidin-4-amine (CID 62382882) is N-but-3-en-2-yl-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-N-ethylpiperidin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-N-ethylpiperidin-4-amine is C=CC(C)N(CC)C1CCNCC1.
What is the InChIKey of N-but-3-en-2-yl-N-ethylpiperidin-4-amine?
The InChIKey is DDBXDWNKXFWFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(3)13(5-2)11-6-8-12-9-7-11/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-N-ethylpiperidin-4-amine?
N-but-3-en-2-yl-N-ethylpiperidin-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 62382882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).