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

C16H27N3O2 — CID 103539529

IUPACN-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CN(c2cnccc2CNCC(C)C)CC1OC
InChIInChI=1S/C16H27N3O2/c1-12(2)7-18-8-13-5-6-17-9-14(13)19-10-15(20-3)16(11-19)21-4/h5-6,9,12,15-16,18H,7-8,10-11H2,1-4H3
InChIKeyYLCLQBHWBAUARB-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.68
Rot. Bonds7

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

N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 103539529) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID103539529
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CN(c2cnccc2CNCC(C)C)CC1OC
InChIInChI=1S/C16H27N3O2/c1-12(2)7-18-8-13-5-6-17-9-14(13)19-10-15(20-3)16(11-19)21-4/h5-6,9,12,15-16,18H,7-8,10-11H2,1-4H3
InChIKeyYLCLQBHWBAUARB-UHFFFAOYSA-N
XLogP1.68
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074066
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103540249
2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074709
2-methyl-N-[[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81249938
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 103539529) is N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is COC1CN(c2cnccc2CNCC(C)C)CC1OC.
What is the InChIKey of N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YLCLQBHWBAUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)7-18-8-13-5-6-17-9-14(13)19-10-15(20-3)16(11-19)21-4/h5-6,9,12,15-16,18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103539529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).