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

C15H25N3 — CID 62512310

IUPACN-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cccc(C)n2)C1
InChIInChI=1S/C15H25N3/c1-3-8-16-10-14-7-9-18(11-14)12-15-6-4-5-13(2)17-15/h4-6,14,16H,3,7-12H2,1-2H3
InChIKeyWUINQNILEAQOBP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.21
Rot. Bonds6

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

N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 62512310) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID62512310
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cccc(C)n2)C1
InChIInChI=1S/C15H25N3/c1-3-8-16-10-14-7-9-18(11-14)12-15-6-4-5-13(2)17-15/h4-6,14,16H,3,7-12H2,1-2H3
InChIKeyWUINQNILEAQOBP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512311
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 82888686
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081783
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 62512310) is N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cccc(C)n2)C1.
What is the InChIKey of N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is WUINQNILEAQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-8-16-10-14-7-9-18(11-14)12-15-6-4-5-13(2)17-15/h4-6,14,16H,3,7-12H2,1-2H3.
What are the key properties of N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62512310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).