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

C16H27N3O2 — CID 103539519

IUPACN-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CN(c2ccnc(CNC(C)(C)C)c2)CC1OC
InChIInChI=1S/C16H27N3O2/c1-16(2,3)18-9-12-8-13(6-7-17-12)19-10-14(20-4)15(11-19)21-5/h6-8,14-15,18H,9-11H2,1-5H3
InChIKeyZOUKNHAPEVBGLB-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.82
Rot. Bonds5

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

N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 103539519) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID103539519
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CN(c2ccnc(CNC(C)(C)C)c2)CC1OC
InChIInChI=1S/C16H27N3O2/c1-16(2,3)18-9-12-8-13(6-7-17-12)19-10-14(20-4)15(11-19)21-5/h6-8,14-15,18H,9-11H2,1-5H3
InChIKeyZOUKNHAPEVBGLB-UHFFFAOYSA-N
XLogP1.82
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 103539519) is N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is COC1CN(c2ccnc(CNC(C)(C)C)c2)CC1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZOUKNHAPEVBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)18-9-12-8-13(6-7-17-12)19-10-14(20-4)15(11-19)21-5/h6-8,14-15,18H,9-11H2,1-5H3.
What are the key properties of N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).