N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine

C13H23N3O — CID 79244322

IUPACN-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(C)C(C)COC)c1
InChIInChI=1S/C13H23N3O/c1-5-14-12-6-7-15-13(8-12)9-16(3)11(2)10-17-4/h6-8,11H,5,9-10H2,1-4H3,(H,14,15)
InChIKeyTWUZYXWRMCVMCH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds7

About N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine

N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine (PubChem CID 79244322) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
PubChem CID79244322
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(C)C(C)COC)c1
InChIInChI=1S/C13H23N3O/c1-5-14-12-6-7-15-13(8-12)9-16(3)11(2)10-17-4/h6-8,11H,5,9-10H2,1-4H3,(H,14,15)
InChIKeyTWUZYXWRMCVMCH-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine (CID 79244322) is N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine is CCNc1ccnc(CN(C)C(C)COC)c1.
What is the InChIKey of N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine?
The InChIKey is TWUZYXWRMCVMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-12-6-7-15-13(8-12)9-16(3)11(2)10-17-4/h6-8,11H,5,9-10H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine?
N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79244322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).