[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine

C15H25N3O2 — CID 103539567

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOC1CN(c2cc(CN)cc(C(C)C)n2)CC1OC
InChIInChI=1S/C15H25N3O2/c1-10(2)12-5-11(7-16)6-15(17-12)18-8-13(19-3)14(9-18)20-4/h5-6,10,13-14H,7-9,16H2,1-4H3
InChIKeyPYNFJEGODIXVRQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.51
Rot. Bonds5

About [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine

[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine (PubChem CID 103539567) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
PubChem CID103539567
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOC1CN(c2cc(CN)cc(C(C)C)n2)CC1OC
InChIInChI=1S/C15H25N3O2/c1-10(2)12-5-11(7-16)6-15(17-12)18-8-13(19-3)14(9-18)20-4/h5-6,10,13-14H,7-9,16H2,1-4H3
InChIKeyPYNFJEGODIXVRQ-UHFFFAOYSA-N
XLogP1.51
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine (CID 103539567) is [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine is COC1CN(c2cc(CN)cc(C(C)C)n2)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine?
The InChIKey is PYNFJEGODIXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)12-5-11(7-16)6-15(17-12)18-8-13(19-3)14(9-18)20-4/h5-6,10,13-14H,7-9,16H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine is sourced from PubChem (CID 103539567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).