N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C15H25N3O — CID 103539400

IUPACN-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(c2cc(CNCC(C)C)ccn2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)9-16-10-13-4-6-17-15(8-13)18-7-5-14(11-18)19-3/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3
InChIKeyJQXJEQXWQKITMQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds6

About N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 103539400) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID103539400
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(c2cc(CNCC(C)C)ccn2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)9-16-10-13-4-6-17-15(8-13)18-7-5-14(11-18)19-3/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3
InChIKeyJQXJEQXWQKITMQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539333
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62491581
N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 103539400) is N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is COC1CCN(c2cc(CNCC(C)C)ccn2)C1.
What is the InChIKey of N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JQXJEQXWQKITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)9-16-10-13-4-6-17-15(8-13)18-7-5-14(11-18)19-3/h4,6,8,12,14,16H,5,7,9-11H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103539400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).