[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

C14H27N3O2 — CID 103531788

IUPAC[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCOC1CN(C2(CN)CCN3CCC2C3)CC1OC
InChIInChI=1S/C14H27N3O2/c1-18-12-8-17(9-13(12)19-2)14(10-15)4-6-16-5-3-11(14)7-16/h11-13H,3-10,15H2,1-2H3
InChIKeySORREWHUAVAVLS-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.24
Rot. Bonds4

About [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (PubChem CID 103531788) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
PubChem CID103531788
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCOC1CN(C2(CN)CCN3CCC2C3)CC1OC
InChIInChI=1S/C14H27N3O2/c1-18-12-8-17(9-13(12)19-2)14(10-15)4-6-16-5-3-11(14)7-16/h11-13H,3-10,15H2,1-2H3
InChIKeySORREWHUAVAVLS-UHFFFAOYSA-N
XLogP-0.24
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (CID 103531788) is [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is COC1CN(C2(CN)CCN3CCC2C3)CC1OC.
What is the InChIKey of [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The InChIKey is SORREWHUAVAVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-18-12-8-17(9-13(12)19-2)14(10-15)4-6-16-5-3-11(14)7-16/h11-13H,3-10,15H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is sourced from PubChem (CID 103531788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).