N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine

C16H29N3O — CID 79244903

IUPACN-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(CCOC)C(CC)CC)c1
InChIInChI=1S/C16H29N3O/c1-5-16(6-2)19(10-11-20-4)13-15-12-14(17-7-3)8-9-18-15/h8-9,12,16H,5-7,10-11,13H2,1-4H3,(H,17,18)
InChIKeyZGBLUXNWKPVXCM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.15
Rot. Bonds10

About N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine

N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine (PubChem CID 79244903) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine
PubChem CID79244903
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(CCOC)C(CC)CC)c1
InChIInChI=1S/C16H29N3O/c1-5-16(6-2)19(10-11-20-4)13-15-12-14(17-7-3)8-9-18-15/h8-9,12,16H,5-7,10-11,13H2,1-4H3,(H,17,18)
InChIKeyZGBLUXNWKPVXCM-UHFFFAOYSA-N
XLogP3.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine (CID 79244903) is N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine is CCNc1ccnc(CN(CCOC)C(CC)CC)c1.
What is the InChIKey of N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine?
The InChIKey is ZGBLUXNWKPVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-16(6-2)19(10-11-20-4)13-15-12-14(17-7-3)8-9-18-15/h8-9,12,16H,5-7,10-11,13H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine?
N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79244903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).