N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine

C15H32N2O — CID 82925348

IUPACN-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCCC(CC)CN1CCCC(CNCCOC)C1
InChIInChI=1S/C15H32N2O/c1-4-14(5-2)12-17-9-6-7-15(13-17)11-16-8-10-18-3/h14-16H,4-13H2,1-3H3
InChIKeyNMZTZEZSMWWPFD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds9

About N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine

N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 82925348) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID82925348
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCCC(CC)CN1CCCC(CNCCOC)C1
InChIInChI=1S/C15H32N2O/c1-4-14(5-2)12-17-9-6-7-15(13-17)11-16-8-10-18-3/h14-16H,4-13H2,1-3H3
InChIKeyNMZTZEZSMWWPFD-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]butanenitrile
CID 63849371
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106438729

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 82925348) is N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine is CCC(CC)CN1CCCC(CNCCOC)C1.
What is the InChIKey of N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is NMZTZEZSMWWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-14(5-2)12-17-9-6-7-15(13-17)11-16-8-10-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82925348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).