3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine

C13H23N3O — CID 106357869

IUPAC3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOc1cccc(NC(CCN)C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(8-9-14)15-11-6-5-7-12(16-11)17-4/h5-7,10H,8-9,14H2,1-4H3,(H,15,16)
InChIKeyPPZCQWBNFNRNER-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds5

About 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine

3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 106357869) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
PubChem CID106357869
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOc1cccc(NC(CCN)C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(8-9-14)15-11-6-5-7-12(16-11)17-4/h5-7,10H,8-9,14H2,1-4H3,(H,15,16)
InChIKeyPPZCQWBNFNRNER-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-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

Related Compounds

6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
CID 63589651
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
1-cyclohexyl-N-(6-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 113283800
4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
CID 106357771
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethylpentan-3-amine
CID 106354148
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 106357572
3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine (CID 106357869) is 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine is COc1cccc(NC(CCN)C(C)(C)C)n1.
What is the InChIKey of 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is PPZCQWBNFNRNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)10(8-9-14)15-11-6-5-7-12(16-11)17-4/h5-7,10H,8-9,14H2,1-4H3,(H,15,16).
What are the key properties of 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106357869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).