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

C13H23N3O — CID 106357770

IUPAC3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOc1cc(NC(CCN)C(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-13(2,3)11(5-7-14)16-10-6-8-15-12(9-10)17-4/h6,8-9,11H,5,7,14H2,1-4H3,(H,15,16)
InChIKeyUMKZQVOMWZYTQQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds5

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

3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 106357770) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
PubChem CID106357770
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOc1cc(NC(CCN)C(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-13(2,3)11(5-7-14)16-10-6-8-15-12(9-10)17-4/h6,8-9,11H,5,7,14H2,1-4H3,(H,15,16)
InChIKeyUMKZQVOMWZYTQQ-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

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Related Compounds

4,4-dimethyl-3-N-pyridin-4-ylpentane-1,3-diamine
CID 106357771
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357869
3-methoxy-2-[(2-methoxy-4-pyridinyl)amino]propan-1-ol
CID 106186414
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159402
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
3-[(2-methoxy-4-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103847130
3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 126974215
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine (CID 106357770) is 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine is COc1cc(NC(CCN)C(C)(C)C)ccn1.
What is the InChIKey of 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is UMKZQVOMWZYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)11(5-7-14)16-10-6-8-15-12(9-10)17-4/h6,8-9,11H,5,7,14H2,1-4H3,(H,15,16).
What are the key properties of 3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine?
3-N-(2-methoxy-4-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-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106357770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).