8-N-(2-aminoethyl)isoquinoline-5,8-diamine

C11H14N4 — CID 103138118

IUPAC8-N-(2-aminoethyl)isoquinoline-5,8-diamine
SMILESNCCNc1ccc(N)c2ccncc12
InChIInChI=1S/C11H14N4/c12-4-6-15-11-2-1-10(13)8-3-5-14-7-9(8)11/h1-3,5,7,15H,4,6,12-13H2
InChIKeyWPKWCJBAVRUPNP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.19
Rot. Bonds3

About 8-N-(2-aminoethyl)isoquinoline-5,8-diamine

8-N-(2-aminoethyl)isoquinoline-5,8-diamine (PubChem CID 103138118) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-N-(2-aminoethyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-aminoethyl)isoquinoline-5,8-diamine
PubChem CID103138118
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name8-N-(2-aminoethyl)isoquinoline-5,8-diamine
SMILESNCCNc1ccc(N)c2ccncc12
InChIInChI=1S/C11H14N4/c12-4-6-15-11-2-1-10(13)8-3-5-14-7-9(8)11/h1-3,5,7,15H,4,6,12-13H2
InChIKeyWPKWCJBAVRUPNP-UHFFFAOYSA-N
XLogP1.19
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
CID 103139301
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
CID 103137737
4-N-(2-aminoethyl)naphthalene-1,4-diamine
CID 146264180
5-N-butylisoquinoline-5,8-diamine
CID 43448702
3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813
5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 43448707
8-N-[3-(1H-imidazol-2-yl)propyl]isoquinoline-5,8-diamine
CID 103139262
8-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinoline-5,8-diamine
CID 103138436
3-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103139100
3-[(5-aminoisoquinolin-8-yl)amino]-2,2-difluoropropan-1-ol
CID 106167568

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-aminoethyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-(2-aminoethyl)isoquinoline-5,8-diamine (CID 103138118) is 8-N-(2-aminoethyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-aminoethyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-aminoethyl)isoquinoline-5,8-diamine is NCCNc1ccc(N)c2ccncc12.
What is the InChIKey of 8-N-(2-aminoethyl)isoquinoline-5,8-diamine?
The InChIKey is WPKWCJBAVRUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-4-6-15-11-2-1-10(13)8-3-5-14-7-9(8)11/h1-3,5,7,15H,4,6,12-13H2.
What are the key properties of 8-N-(2-aminoethyl)isoquinoline-5,8-diamine?
8-N-(2-aminoethyl)isoquinoline-5,8-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-aminoethyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103138118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).