N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine

C14H20N4O — CID 106542337

IUPACN'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2ccnc(N(CCN)CCN)c2c1
InChIInChI=1S/C14H20N4O/c1-19-12-3-2-11-4-7-17-14(13(11)10-12)18(8-5-15)9-6-16/h2-4,7,10H,5-6,8-9,15-16H2,1H3
InChIKeyTYNRLMGRUWBVMV-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.97
Rot. Bonds6

About N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 106542337) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID106542337
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2ccnc(N(CCN)CCN)c2c1
InChIInChI=1S/C14H20N4O/c1-19-12-3-2-11-4-7-17-14(13(11)10-12)18(8-5-15)9-6-16/h2-4,7,10H,5-6,8-9,15-16H2,1H3
InChIKeyTYNRLMGRUWBVMV-UHFFFAOYSA-N
XLogP0.97
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
CID 106542281
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
2-[(7-methoxyisoquinolin-1-yl)-prop-2-ynylamino]acetic acid
CID 106536316
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
CID 106543060

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine (CID 106542337) is N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine is COc1ccc2ccnc(N(CCN)CCN)c2c1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is TYNRLMGRUWBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-12-3-2-11-4-7-17-14(13(11)10-12)18(8-5-15)9-6-16/h2-4,7,10H,5-6,8-9,15-16H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106542337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).