3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine

C12H26N2O — CID 62655051

IUPAC3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCOCCCNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-3-15-10-4-7-13-11-12-5-8-14(2)9-6-12/h12-13H,3-11H2,1-2H3
InChIKeyYLWVUTNZOPGGLW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine

3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 62655051) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID62655051
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCOCCCNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-3-15-10-4-7-13-11-12-5-8-14(2)9-6-12/h12-13H,3-11H2,1-2H3
InChIKeyYLWVUTNZOPGGLW-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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

3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
CID 66004138
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
1-(3-ethoxypropyl)-3-(1-methylpiperidin-4-yl)thiourea
CID 115573046
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
CID 61070883

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine (CID 62655051) is 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine is CCOCCCNCC1CCN(C)CC1.
What is the InChIKey of 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is YLWVUTNZOPGGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-15-10-4-7-13-11-12-5-8-14(2)9-6-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine?
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62655051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).