1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine

C17H25N3O — CID 106541030

IUPAC1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCOc1ccc2ccnc(N(C)CCC(N)C(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)16(18)8-10-20(3)17-15-11-14(21-4)6-5-13(15)7-9-19-17/h5-7,9,11-12,16H,8,10,18H2,1-4H3
InChIKeyOXFPTEBDEUINSR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.05
Rot. Bonds6

About 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine

1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 106541030) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
PubChem CID106541030
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCOc1ccc2ccnc(N(C)CCC(N)C(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)16(18)8-10-20(3)17-15-11-14(21-4)6-5-13(15)7-9-19-17/h5-7,9,11-12,16H,8,10,18H2,1-4H3
InChIKeyOXFPTEBDEUINSR-UHFFFAOYSA-N
XLogP3.05
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine with MolForge

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Related Compounds

N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
2-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoic acid
CID 106536110
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine (CID 106541030) is 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine is COc1ccc2ccnc(N(C)CCC(N)C(C)C)c2c1.
What is the InChIKey of 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is OXFPTEBDEUINSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)16(18)8-10-20(3)17-15-11-14(21-4)6-5-13(15)7-9-19-17/h5-7,9,11-12,16H,8,10,18H2,1-4H3.
What are the key properties of 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine?
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106541030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).