N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine

C14H23N3O — CID 63586483

IUPACN-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cccc(OC)n1
InChIInChI=1S/C14H23N3O/c1-3-9-15-11-12-6-5-10-17(12)13-7-4-8-14(16-13)18-2/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3
InChIKeyPPLQOVXLXVILPM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds6

About N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 63586483) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID63586483
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cccc(OC)n1
InChIInChI=1S/C14H23N3O/c1-3-9-15-11-12-6-5-10-17(12)13-7-4-8-14(16-13)18-2/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3
InChIKeyPPLQOVXLXVILPM-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 63586483) is N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1c1cccc(OC)n1.
What is the InChIKey of N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is PPLQOVXLXVILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-15-11-12-6-5-10-17(12)13-7-4-8-14(16-13)18-2/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63586483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).