N-but-2-enyl-N-ethylpiperidin-3-amine

C11H22N2 — CID 77002860

IUPACN-but-2-enyl-N-ethylpiperidin-3-amine
SMILESCC=CCN(CC)C1CCCNC1
InChIInChI=1S/C11H22N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyGHQBBPJDDKWAHW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About N-but-2-enyl-N-ethylpiperidin-3-amine

N-but-2-enyl-N-ethylpiperidin-3-amine (PubChem CID 77002860) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-but-2-enyl-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-but-2-enyl-N-ethylpiperidin-3-amine
PubChem CID77002860
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-but-2-enyl-N-ethylpiperidin-3-amine
SMILESCC=CCN(CC)C1CCCNC1
InChIInChI=1S/C11H22N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyGHQBBPJDDKWAHW-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
CID 114496458
N-ethyl-N-(2-propoxyethyl)piperidin-3-amine
CID 106455012
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-ethylpiperidin-3-amine?
The IUPAC name of N-but-2-enyl-N-ethylpiperidin-3-amine (CID 77002860) is N-but-2-enyl-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-but-2-enyl-N-ethylpiperidin-3-amine?
The canonical SMILES for N-but-2-enyl-N-ethylpiperidin-3-amine is CC=CCN(CC)C1CCCNC1.
What is the InChIKey of N-but-2-enyl-N-ethylpiperidin-3-amine?
The InChIKey is GHQBBPJDDKWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h3,5,11-12H,4,6-10H2,1-2H3.
What are the key properties of N-but-2-enyl-N-ethylpiperidin-3-amine?
N-but-2-enyl-N-ethylpiperidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-ethylpiperidin-3-amine is sourced from PubChem (CID 77002860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).