6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine

C14H23N3O — CID 79231488

IUPAC6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCCOCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-7-15-14-6-3-5-13(16-14)12-17-8-4-10-18-11-9-17/h3,5-6H,2,4,7-12H2,1H3,(H,15,16)
InChIKeyZQBDZJGRIWQJJH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds5

About 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine

6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 79231488) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
PubChem CID79231488
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCCOCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-7-15-14-6-3-5-13(16-14)12-17-8-4-10-18-11-9-17/h3,5-6H,2,4,7-12H2,1H3,(H,15,16)
InChIKeyZQBDZJGRIWQJJH-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine (CID 79231488) is 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine is CCCNc1cccc(CN2CCCOCC2)n1.
What is the InChIKey of 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is ZQBDZJGRIWQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-7-15-14-6-3-5-13(16-14)12-17-8-4-10-18-11-9-17/h3,5-6H,2,4,7-12H2,1H3,(H,15,16).
What are the key properties of 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 79231488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).