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

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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).