3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol

C15H25N3O — CID 81050229

IUPAC3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cc(N2CCCC2CCCO)c(CN)c(C)n1
InChIInChI=1S/C15H25N3O/c1-11-9-15(14(10-16)12(2)17-11)18-7-3-5-13(18)6-4-8-19/h9,13,19H,3-8,10,16H2,1-2H3
InChIKeyFJFJTCKZHRQXBU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds5

About 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 81050229) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID81050229
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cc(N2CCCC2CCCO)c(CN)c(C)n1
InChIInChI=1S/C15H25N3O/c1-11-9-15(14(10-16)12(2)17-11)18-7-3-5-13(18)6-4-8-19/h9,13,19H,3-8,10,16H2,1-2H3
InChIKeyFJFJTCKZHRQXBU-UHFFFAOYSA-N
XLogP1.90
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol (CID 81050229) is 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol is Cc1cc(N2CCCC2CCCO)c(CN)c(C)n1.
What is the InChIKey of 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FJFJTCKZHRQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-15(14(10-16)12(2)17-11)18-7-3-5-13(18)6-4-8-19/h9,13,19H,3-8,10,16H2,1-2H3.
What are the key properties of 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 81050229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).