N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine

C16H27N3O — CID 62323923

IUPACN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC2CCCN2C)nc1
InChIInChI=1S/C16H27N3O/c1-3-9-17-12-14-6-7-16(18-13-14)20-11-8-15-5-4-10-19(15)2/h6-7,13,15,17H,3-5,8-12H2,1-2H3
InChIKeyWNJATYSXHVNUPE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds8

About N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine

N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62323923) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID62323923
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC2CCCN2C)nc1
InChIInChI=1S/C16H27N3O/c1-3-9-17-12-14-6-7-16(18-13-14)20-11-8-15-5-4-10-19(15)2/h6-7,13,15,17H,3-5,8-12H2,1-2H3
InChIKeyWNJATYSXHVNUPE-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 83046329
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propylpyrimidin-4-amine
CID 80870896
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55058917
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
CID 80870418

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine (CID 62323923) is N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCCC2CCCN2C)nc1.
What is the InChIKey of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WNJATYSXHVNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-12-14-6-7-16(18-13-14)20-11-8-15-5-4-10-19(15)2/h6-7,13,15,17H,3-5,8-12H2,1-2H3.
What are the key properties of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62323923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).