8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine

C17H18N4 — CID 103138899

IUPAC8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
SMILESCCc1cccnc1CNc1ccc(N)c2ccncc12
InChIInChI=1S/C17H18N4/c1-2-12-4-3-8-20-17(12)11-21-16-6-5-15(18)13-7-9-19-10-14(13)16/h3-10,21H,2,11,18H2,1H3
InChIKeyWTDVBUGXYLGIDA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.39
Rot. Bonds4

About 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine

8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine (PubChem CID 103138899) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
PubChem CID103138899
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
SMILESCCc1cccnc1CNc1ccc(N)c2ccncc12
InChIInChI=1S/C17H18N4/c1-2-12-4-3-8-20-17(12)11-21-16-6-5-15(18)13-7-9-19-10-14(13)16/h3-10,21H,2,11,18H2,1H3
InChIKeyWTDVBUGXYLGIDA-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
8-ethylisoquinolin-5-amine
CID 58807103
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
3-N-[(3-ethyl-2-pyridinyl)methyl]-2-nitrobenzene-1,3-diamine
CID 82746862
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
8-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 103137089
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine?
The IUPAC name of 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine (CID 103138899) is 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine is CCc1cccnc1CNc1ccc(N)c2ccncc12.
What is the InChIKey of 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine?
The InChIKey is WTDVBUGXYLGIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-12-4-3-8-20-17(12)11-21-16-6-5-15(18)13-7-9-19-10-14(13)16/h3-10,21H,2,11,18H2,1H3.
What are the key properties of 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine?
8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine is sourced from PubChem (CID 103138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).