N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C16H29N3O — CID 28572737

IUPACN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1c(C)cnc(CNCC(C)(C)CN(C)C)c1C
InChIInChI=1S/C16H29N3O/c1-12-8-18-14(13(2)15(12)20-7)9-17-10-16(3,4)11-19(5)6/h8,17H,9-11H2,1-7H3
InChIKeyZEYXSVXBJURECC-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.38
Rot. Bonds7

About N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 28572737) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID28572737
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1c(C)cnc(CNCC(C)(C)CN(C)C)c1C
InChIInChI=1S/C16H29N3O/c1-12-8-18-14(13(2)15(12)20-7)9-17-10-16(3,4)11-19(5)6/h8,17H,9-11H2,1-7H3
InChIKeyZEYXSVXBJURECC-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine 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'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 28572737) is N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is COc1c(C)cnc(CNCC(C)(C)CN(C)C)c1C.
What is the InChIKey of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ZEYXSVXBJURECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12-8-18-14(13(2)15(12)20-7)9-17-10-16(3,4)11-19(5)6/h8,17H,9-11H2,1-7H3.
What are the key properties of N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 28572737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).