2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine

C16H21N3O — CID 106540980

IUPAC2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
SMILESCOc1ccc2c(NC(C)(CN)C3CC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-16(10-17,12-3-4-12)19-15-14-6-5-13(20-2)9-11(14)7-8-18-15/h5-9,12H,3-4,10,17H2,1-2H3,(H,18,19)
InChIKeyQRQCYGMLGNBROU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine

2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine (PubChem CID 106540980) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
PubChem CID106540980
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
SMILESCOc1ccc2c(NC(C)(CN)C3CC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-16(10-17,12-3-4-12)19-15-14-6-5-13(20-2)9-11(14)7-8-18-15/h5-9,12H,3-4,10,17H2,1-2H3,(H,18,19)
InChIKeyQRQCYGMLGNBROU-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540726
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 107866247
2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
CID 115308062
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308213
1-N-(6-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine (CID 106540980) is 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine is COc1ccc2c(NC(C)(CN)C3CC3)nccc2c1.
What is the InChIKey of 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine?
The InChIKey is QRQCYGMLGNBROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(10-17,12-3-4-12)19-15-14-6-5-13(20-2)9-11(14)7-8-18-15/h5-9,12H,3-4,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine is sourced from PubChem (CID 106540980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).