3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine

C13H28N2O — CID 116500788

IUPAC3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
SMILESCOCC(C)CNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-13(12-16-2)11-14-7-6-10-15-8-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyVYCXCERBMTZLCU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine

3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine (PubChem CID 116500788) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
PubChem CID116500788
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
SMILESCOCC(C)CNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-13(12-16-2)11-14-7-6-10-15-8-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyVYCXCERBMTZLCU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 113422063
N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60697071
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine (CID 116500788) is 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine is COCC(C)CNCCCN1CCCCC1.
What is the InChIKey of 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The InChIKey is VYCXCERBMTZLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(12-16-2)11-14-7-6-10-15-8-4-3-5-9-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 116500788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).