N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H27N3O — CID 103539333

IUPACN-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(c2cc(CNCC(C)C)cc(C)n2)C1
InChIInChI=1S/C16H27N3O/c1-12(2)9-17-10-14-7-13(3)18-16(8-14)19-6-5-15(11-19)20-4/h7-8,12,15,17H,5-6,9-11H2,1-4H3
InChIKeyFMJXVJXRTHDPRA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds6

About N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 103539333) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID103539333
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(c2cc(CNCC(C)C)cc(C)n2)C1
InChIInChI=1S/C16H27N3O/c1-12(2)9-17-10-14-7-13(3)18-16(8-14)19-6-5-15(11-19)20-4/h7-8,12,15,17H,5-6,9-11H2,1-4H3
InChIKeyFMJXVJXRTHDPRA-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 103539333) is N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine is COC1CCN(c2cc(CNCC(C)C)cc(C)n2)C1.
What is the InChIKey of N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FMJXVJXRTHDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-17-10-14-7-13(3)18-16(8-14)19-6-5-15(11-19)20-4/h7-8,12,15,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.36, 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)-6-methyl-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103539333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).