4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol

C13H21N3O — CID 65075442

IUPAC4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C13H21N3O/c1-16-7-2-4-13(17,5-8-16)10-11-3-6-15-12(14)9-11/h3,6,9,17H,2,4-5,7-8,10H2,1H3,(H2,14,15)
InChIKeyCVWRFZOHXAAWQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.05
Rot. Bonds2

About 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol

4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol (PubChem CID 65075442) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol
PubChem CID65075442
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C13H21N3O/c1-16-7-2-4-13(17,5-8-16)10-11-3-6-15-12(14)9-11/h3,6,9,17H,2,4-5,7-8,10H2,1H3,(H2,14,15)
InChIKeyCVWRFZOHXAAWQG-UHFFFAOYSA-N
XLogP1.05
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol (CID 65075442) is 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol is CN1CCCC(O)(Cc2ccnc(N)c2)CC1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol?
The InChIKey is CVWRFZOHXAAWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-7-2-4-13(17,5-8-16)10-11-3-6-15-12(14)9-11/h3,6,9,17H,2,4-5,7-8,10H2,1H3,(H2,14,15).
What are the key properties of 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol?
4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methyl]-1-methylazepan-4-ol is sourced from PubChem (CID 65075442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).