N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C17H23N3O — CID 82886139

IUPACN'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(C)nc(CN(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H23N3O/c1-14-10-17(21-2)11-16(19-14)13-20(9-8-18)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13,18H2,1-2H3
InChIKeyQBIKACWLNLAETG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.36
Rot. Bonds7

About N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 82886139) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID82886139
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(C)nc(CN(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H23N3O/c1-14-10-17(21-2)11-16(19-14)13-20(9-8-18)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13,18H2,1-2H3
InChIKeyQBIKACWLNLAETG-UHFFFAOYSA-N
XLogP2.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 82886139) is N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is COc1cc(C)nc(CN(CCN)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is QBIKACWLNLAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-10-17(21-2)11-16(19-14)13-20(9-8-18)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13,18H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 82886139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).