N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C15H27N3O2 — CID 103173261

IUPACN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1nccc(OC)c1OC
InChIInChI=1S/C15H27N3O2/c1-6-18(10-9-16-12(2)3)11-13-15(20-5)14(19-4)7-8-17-13/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeySTLGZMTVRJEXGZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.92
Rot. Bonds9

About N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 103173261) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID103173261
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1nccc(OC)c1OC
InChIInChI=1S/C15H27N3O2/c1-6-18(10-9-16-12(2)3)11-13-15(20-5)14(19-4)7-8-17-13/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeySTLGZMTVRJEXGZ-UHFFFAOYSA-N
XLogP1.92
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 103173261) is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)Cc1nccc(OC)c1OC.
What is the InChIKey of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is STLGZMTVRJEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-18(10-9-16-12(2)3)11-13-15(20-5)14(19-4)7-8-17-13/h7-8,12,16H,6,9-11H2,1-5H3.
What are the key properties of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 103173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).