isoquinoline;N'-phenylethane-1,2-diamine

C17H19N3 — CID 67835553

IUPACisoquinoline;N'-phenylethane-1,2-diamine
SMILESNCCNc1ccccc1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C8H12N2/c1-2-4-9-7-10-6-5-8(9)3-1;9-6-7-10-8-4-2-1-3-5-8/h1-7H;1-5,10H,6-7,9H2
InChIKeyCEWQXXCTNFYCFV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.29
Rot. Bonds3

About isoquinoline;N'-phenylethane-1,2-diamine

isoquinoline;N'-phenylethane-1,2-diamine (PubChem CID 67835553) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is isoquinoline;N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Nameisoquinoline;N'-phenylethane-1,2-diamine
PubChem CID67835553
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Nameisoquinoline;N'-phenylethane-1,2-diamine
SMILESNCCNc1ccccc1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C8H12N2/c1-2-4-9-7-10-6-5-8(9)3-1;9-6-7-10-8-4-2-1-3-5-8/h1-7H;1-5,10H,6-7,9H2
InChIKeyCEWQXXCTNFYCFV-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N'-phenylethane-1,2-diamine
CID 91048519
hydroxylamine;isoquinoline
CID 158472415
molecular hydrogen;N'-phenylethane-1,2-diamine;propane
CID 143734576
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
isoquinoline;N-phenylacetamide
CID 70376820
isoquinoline;1,3,5-triazine
CID 175198893
ethane;isoquinoline;hydroiodide
CID 153349858
fluoroboronic acid;isoquinoline
CID 172796468
N'-(3-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 112703774
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
dichloroiron;isoquinoline
CID 157065360
isoquinoline;1,2,2-triphenylethenylbenzene
CID 159280629

Frequently Asked Questions

What is the IUPAC name of isoquinoline;N'-phenylethane-1,2-diamine?
The IUPAC name of isoquinoline;N'-phenylethane-1,2-diamine (CID 67835553) is isoquinoline;N'-phenylethane-1,2-diamine.
What is the SMILES notation for isoquinoline;N'-phenylethane-1,2-diamine?
The canonical SMILES for isoquinoline;N'-phenylethane-1,2-diamine is NCCNc1ccccc1.c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline;N'-phenylethane-1,2-diamine?
The InChIKey is CEWQXXCTNFYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H12N2/c1-2-4-9-7-10-6-5-8(9)3-1;9-6-7-10-8-4-2-1-3-5-8/h1-7H;1-5,10H,6-7,9H2.
What are the key properties of isoquinoline;N'-phenylethane-1,2-diamine?
isoquinoline;N'-phenylethane-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;N'-phenylethane-1,2-diamine is sourced from PubChem (CID 67835553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).