6-[(benzylamino)methyl]isoquinolin-1-amine

C17H17N3 — CID 53322817

IUPAC6-[(benzylamino)methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNCc3ccccc3)ccc12
InChIInChI=1S/C17H17N3/c18-17-16-7-6-14(10-15(16)8-9-20-17)12-19-11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H2,18,20)
InChIKeyKSCVRXOMKSYNIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.11
Rot. Bonds4

About 6-[(benzylamino)methyl]isoquinolin-1-amine

6-[(benzylamino)methyl]isoquinolin-1-amine (PubChem CID 53322817) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[(benzylamino)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[(benzylamino)methyl]isoquinolin-1-amine
PubChem CID53322817
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-[(benzylamino)methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNCc3ccccc3)ccc12
InChIInChI=1S/C17H17N3/c18-17-16-7-6-14(10-15(16)8-9-20-17)12-19-11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H2,18,20)
InChIKeyKSCVRXOMKSYNIZ-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
6-N-benzyl-7-fluoroisoquinoline-1,6-diamine
CID 70924395
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
(2R)-2-amino-N-[(2S)-5-(1-aminoisoquinolin-6-yl)-3-oxopentan-2-yl]-4-phenylbutanamide
CID 167606021
3-[[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methylamino]methyl]benzonitrile;methane
CID 167672468
methyl 2-[(1-aminoisoquinolin-6-yl)methylamino]-N-ethyl-2-oxoethanimidate
CID 139341030
2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide
CID 70317093
1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169387020
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide
CID 140710990
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378

Frequently Asked Questions

What is the IUPAC name of 6-[(benzylamino)methyl]isoquinolin-1-amine?
The IUPAC name of 6-[(benzylamino)methyl]isoquinolin-1-amine (CID 53322817) is 6-[(benzylamino)methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[(benzylamino)methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[(benzylamino)methyl]isoquinolin-1-amine is Nc1nccc2cc(CNCc3ccccc3)ccc12.
What is the InChIKey of 6-[(benzylamino)methyl]isoquinolin-1-amine?
The InChIKey is KSCVRXOMKSYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-17-16-7-6-14(10-15(16)8-9-20-17)12-19-11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H2,18,20).
What are the key properties of 6-[(benzylamino)methyl]isoquinolin-1-amine?
6-[(benzylamino)methyl]isoquinolin-1-amine has a molecular weight of 263.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(benzylamino)methyl]isoquinolin-1-amine is sourced from PubChem (CID 53322817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).