N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine

C14H28N2O — CID 106401471

IUPACN-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESC=CCCOCCNCCC1CCCCN1C
InChIInChI=1S/C14H28N2O/c1-3-4-12-17-13-10-15-9-8-14-7-5-6-11-16(14)2/h3,14-15H,1,4-13H2,2H3
InChIKeyGHDBKZVFSAHYGA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine

N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 106401471) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID106401471
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESC=CCCOCCNCCC1CCCCN1C
InChIInChI=1S/C14H28N2O/c1-3-4-12-17-13-10-15-9-8-14-7-5-6-11-16(14)2/h3,14-15H,1,4-13H2,2H3
InChIKeyGHDBKZVFSAHYGA-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
CID 107912960
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-N,2-N,2-trimethyl-1-N-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,2-diamine
CID 55024501
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine (CID 106401471) is N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine is C=CCCOCCNCCC1CCCCN1C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is GHDBKZVFSAHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-12-17-13-10-15-9-8-14-7-5-6-11-16(14)2/h3,14-15H,1,4-13H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 106401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).