6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

C13H23N3O — CID 81073763

IUPAC6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(C)CCOCC)n1
InChIInChI=1S/C13H23N3O/c1-4-14-13-8-6-7-12(15-13)11-16(3)9-10-17-5-2/h6-8H,4-5,9-11H2,1-3H3,(H,14,15)
InChIKeyIOCMGRJYNAPGIK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds8

About 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 81073763) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID81073763
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(C)CCOCC)n1
InChIInChI=1S/C13H23N3O/c1-4-14-13-8-6-7-12(15-13)11-16(3)9-10-17-5-2/h6-8H,4-5,9-11H2,1-3H3,(H,14,15)
InChIKeyIOCMGRJYNAPGIK-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 79243084
N-ethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
CID 112664282
N-ethyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-amine
CID 79233110
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-2-amine
CID 79243357
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
2-N-ethyl-6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-2,6-diamine
CID 80824639
N-ethyl-6-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79243174
N-ethyl-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-2-amine
CID 79243744
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
CID 79243024
6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 79243997

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (CID 81073763) is 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1cccc(CN(C)CCOCC)n1.
What is the InChIKey of 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is IOCMGRJYNAPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13-8-6-7-12(15-13)11-16(3)9-10-17-5-2/h6-8H,4-5,9-11H2,1-3H3,(H,14,15).
What are the key properties of 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 81073763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).