2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol

C15H27N3O — CID 80629864

IUPAC2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
SMILESCCCNCc1cnc(N(CCC)CCO)c(C)c1
InChIInChI=1S/C15H27N3O/c1-4-6-16-11-14-10-13(3)15(17-12-14)18(7-5-2)8-9-19/h10,12,16,19H,4-9,11H2,1-3H3
InChIKeyRCSZFPAMCBONRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.10
Rot. Bonds9

About 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol

2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol (PubChem CID 80629864) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
PubChem CID80629864
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
SMILESCCCNCc1cnc(N(CCC)CCO)c(C)c1
InChIInChI=1S/C15H27N3O/c1-4-6-16-11-14-10-13(3)15(17-12-14)18(7-5-2)8-9-19/h10,12,16,19H,4-9,11H2,1-3H3
InChIKeyRCSZFPAMCBONRB-UHFFFAOYSA-N
XLogP2.10
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol?
The IUPAC name of 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol (CID 80629864) is 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol is CCCNCc1cnc(N(CCC)CCO)c(C)c1.
What is the InChIKey of 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol?
The InChIKey is RCSZFPAMCBONRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-16-11-14-10-13(3)15(17-12-14)18(7-5-2)8-9-19/h10,12,16,19H,4-9,11H2,1-3H3.
What are the key properties of 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol?
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol is sourced from PubChem (CID 80629864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).