N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

C15H25N3 — CID 102881483

IUPACN-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1cncc(C)c1
InChIInChI=1S/C15H25N3/c1-3-6-16-11-15-5-4-7-18(15)12-14-8-13(2)9-17-10-14/h8-10,15-16H,3-7,11-12H2,1-2H3
InChIKeyAHNNEBJMHOKCLY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.35
Rot. Bonds6

About N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 102881483) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID102881483
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1cncc(C)c1
InChIInChI=1S/C15H25N3/c1-3-6-16-11-15-5-4-7-18(15)12-14-8-13(2)9-17-10-14/h8-10,15-16H,3-7,11-12H2,1-2H3
InChIKeyAHNNEBJMHOKCLY-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.35
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

2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62582192
(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
CID 124734701
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 102881483) is N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1Cc1cncc(C)c1.
What is the InChIKey of N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is AHNNEBJMHOKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-6-16-11-15-5-4-7-18(15)12-14-8-13(2)9-17-10-14/h8-10,15-16H,3-7,11-12H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102881483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).