N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

C15H25N3O — CID 55142104

IUPACN-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1cc(CN2CCC(CNC(C)C)C2)ccn1
InChIInChI=1S/C15H25N3O/c1-12(2)17-9-14-5-7-18(11-14)10-13-4-6-16-15(8-13)19-3/h4,6,8,12,14,17H,5,7,9-11H2,1-3H3
InChIKeyJIJSTCLZOUQWKL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.91
Rot. Bonds6

About N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 55142104) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID55142104
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1cc(CN2CCC(CNC(C)C)C2)ccn1
InChIInChI=1S/C15H25N3O/c1-12(2)17-9-14-5-7-18(11-14)10-13-4-6-16-15(8-13)19-3/h4,6,8,12,14,17H,5,7,9-11H2,1-3H3
InChIKeyJIJSTCLZOUQWKL-UHFFFAOYSA-N
XLogP1.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide
CID 166434671
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 55142104) is N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is COc1cc(CN2CCC(CNC(C)C)C2)ccn1.
What is the InChIKey of N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is JIJSTCLZOUQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)17-9-14-5-7-18(11-14)10-13-4-6-16-15(8-13)19-3/h4,6,8,12,14,17H,5,7,9-11H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55142104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).