2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal

C14H22N2O — CID 62276200

IUPAC2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
SMILESCCC(C=O)(CC)CN(C)Cc1cccnc1
InChIInChI=1S/C14H22N2O/c1-4-14(5-2,12-17)11-16(3)10-13-7-6-8-15-9-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyKQOFXGHQTJJYMI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal

2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal (PubChem CID 62276200) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
PubChem CID62276200
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
SMILESCCC(C=O)(CC)CN(C)Cc1cccnc1
InChIInChI=1S/C14H22N2O/c1-4-14(5-2,12-17)11-16(3)10-13-7-6-8-15-9-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyKQOFXGHQTJJYMI-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
3-ethylpyridine
CID 10823
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 77110305

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal?
The IUPAC name of 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal (CID 62276200) is 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal.
What is the SMILES notation for 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal?
The canonical SMILES for 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal is CCC(C=O)(CC)CN(C)Cc1cccnc1.
What is the InChIKey of 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal?
The InChIKey is KQOFXGHQTJJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-14(5-2,12-17)11-16(3)10-13-7-6-8-15-9-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal?
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal has a molecular weight of 234.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal is sourced from PubChem (CID 62276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).