7-N-benzylisoquinoline-1,7-diamine;dihydrochloride

C16H17Cl2N3 — CID 16680695

IUPAC7-N-benzylisoquinoline-1,7-diamine;dihydrochloride
SMILESCl.Cl.Nc1nccc2ccc(NCc3ccccc3)cc12
InChIInChI=1S/C16H15N3.2ClH/c17-16-15-10-14(7-6-13(15)8-9-18-16)19-11-12-4-2-1-3-5-12;;/h1-10,19H,11H2,(H2,17,18);2*1H
InChIKeyUZWKFZAWTYESKQ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.27
Rot. Bonds3

About 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride

7-N-benzylisoquinoline-1,7-diamine;dihydrochloride (PubChem CID 16680695) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride.

Molecular Properties

Compound Name7-N-benzylisoquinoline-1,7-diamine;dihydrochloride
PubChem CID16680695
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name7-N-benzylisoquinoline-1,7-diamine;dihydrochloride
SMILESCl.Cl.Nc1nccc2ccc(NCc3ccccc3)cc12
InChIInChI=1S/C16H15N3.2ClH/c17-16-15-10-14(7-6-13(15)8-9-18-16)19-11-12-4-2-1-3-5-12;;/h1-10,19H,11H2,(H2,17,18);2*1H
InChIKeyUZWKFZAWTYESKQ-UHFFFAOYSA-N
XLogP4.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride?
The IUPAC name of 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride (CID 16680695) is 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride.
What is the SMILES notation for 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride?
The canonical SMILES for 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride is Cl.Cl.Nc1nccc2ccc(NCc3ccccc3)cc12.
What is the InChIKey of 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride?
The InChIKey is UZWKFZAWTYESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.2ClH/c17-16-15-10-14(7-6-13(15)8-9-18-16)19-11-12-4-2-1-3-5-12;;/h1-10,19H,11H2,(H2,17,18);2*1H.
What are the key properties of 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride?
7-N-benzylisoquinoline-1,7-diamine;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzylisoquinoline-1,7-diamine;dihydrochloride is sourced from PubChem (CID 16680695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).