N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C13H23N3 — CID 79267272

IUPACN,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)Cc1cccc(C)n1
InChIInChI=1S/C13H23N3/c1-4-14-9-10-16(5-2)11-13-8-6-7-12(3)15-13/h6-8,14H,4-5,9-11H2,1-3H3
InChIKeyUGABNQSLFYWFQC-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.82
Rot. Bonds7

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

N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 79267272) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID79267272
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)Cc1cccc(C)n1
InChIInChI=1S/C13H23N3/c1-4-14-9-10-16(5-2)11-13-8-6-7-12(3)15-13/h6-8,14H,4-5,9-11H2,1-3H3
InChIKeyUGABNQSLFYWFQC-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
N'-ethyl-N'-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 106907275
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113254240
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 79267272) is N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is CCNCCN(CC)Cc1cccc(C)n1.
What is the InChIKey of N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is UGABNQSLFYWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-14-9-10-16(5-2)11-13-8-6-7-12(3)15-13/h6-8,14H,4-5,9-11H2,1-3H3.
What are the key properties of N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79267272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).