5-(azepan-1-yl)pyridin-2-amine;dihydrochloride

C11H19Cl2N3 — CID 75537462

IUPAC5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C11H17N3.2ClH/c12-11-6-5-10(9-13-11)14-7-3-1-2-4-8-14;;/h5-6,9H,1-4,7-8H2,(H2,12,13);2*1H
InChIKeyMSHQOCZBDYTHLN-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.89
Rot. Bonds1

About 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride

5-(azepan-1-yl)pyridin-2-amine;dihydrochloride (PubChem CID 75537462) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
PubChem CID75537462
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C11H17N3.2ClH/c12-11-6-5-10(9-13-11)14-7-3-1-2-4-8-14;;/h5-6,9H,1-4,7-8H2,(H2,12,13);2*1H
InChIKeyMSHQOCZBDYTHLN-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride (CID 75537462) is 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride is Cl.Cl.Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride?
The InChIKey is MSHQOCZBDYTHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c12-11-6-5-10(9-13-11)14-7-3-1-2-4-8-14;;/h5-6,9H,1-4,7-8H2,(H2,12,13);2*1H.
What are the key properties of 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride?
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 75537462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).