N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine

C16H27N3O — CID 79151286

IUPACN-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H27N3O/c1-3-17-13-15-16(8-7-14(2)18-15)20-12-6-11-19-9-4-5-10-19/h7-8,17H,3-6,9-13H2,1-2H3
InChIKeyQOKAUPQZEUJCLR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds8

About N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79151286) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79151286
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCCN1CCCC1
InChIInChI=1S/C16H27N3O/c1-3-17-13-15-16(8-7-14(2)18-15)20-12-6-11-19-9-4-5-10-19/h7-8,17H,3-6,9-13H2,1-2H3
InChIKeyQOKAUPQZEUJCLR-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 107911121
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
CID 62297528
1-[6-methyl-3-(2-piperidin-1-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79169001
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79151514
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine (CID 79151286) is N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(C)ccc1OCCCN1CCCC1.
What is the InChIKey of N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is QOKAUPQZEUJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-13-15-16(8-7-14(2)18-15)20-12-6-11-19-9-4-5-10-19/h7-8,17H,3-6,9-13H2,1-2H3.
What are the key properties of N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79151286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).