N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine

C13H28N2O — CID 62575422

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCC1CCCCN1CCNCCCOC
InChIInChI=1S/C13H28N2O/c1-3-13-7-4-5-10-15(13)11-9-14-8-6-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyJONYFYXLPFWZAO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 62575422) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID62575422
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCC1CCCCN1CCNCCCOC
InChIInChI=1S/C13H28N2O/c1-3-13-7-4-5-10-15(13)11-9-14-8-6-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyJONYFYXLPFWZAO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
N-(2-methoxyethyl)-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061940
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62575268
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111568363
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine (CID 62575422) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine is CCC1CCCCN1CCNCCCOC.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is JONYFYXLPFWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-13-7-4-5-10-15(13)11-9-14-8-6-12-16-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62575422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).