N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine

C14H23N3 — CID 80629075

IUPACN-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H23N3/c1-3-6-15-10-13-9-12(2)14(16-11-13)17-7-4-5-8-17/h9,11,15H,3-8,10H2,1-2H3
InChIKeyMRXNYAUTNMSQBJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.49
Rot. Bonds5

About N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine

N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 80629075) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
PubChem CID80629075
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H23N3/c1-3-6-15-10-13-9-12(2)14(16-11-13)17-7-4-5-8-17/h9,11,15H,3-8,10H2,1-2H3
InChIKeyMRXNYAUTNMSQBJ-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine (CID 80629075) is N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cnc(N2CCCC2)c(C)c1.
What is the InChIKey of N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is MRXNYAUTNMSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-6-15-10-13-9-12(2)14(16-11-13)17-7-4-5-8-17/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine?
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80629075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).