6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine

C15H19N3 — CID 106948405

IUPAC6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
SMILESCC(CNc1ccc2cnccc2c1N)C1CC1
InChIInChI=1S/C15H19N3/c1-10(11-2-3-11)8-18-14-5-4-12-9-17-7-6-13(12)15(14)16/h4-7,9-11,18H,2-3,8,16H2,1H3
InChIKeyLSGUFWZAHUKYMX-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.28
Rot. Bonds4

About 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine

6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine (PubChem CID 106948405) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
PubChem CID106948405
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
SMILESCC(CNc1ccc2cnccc2c1N)C1CC1
InChIInChI=1S/C15H19N3/c1-10(11-2-3-11)8-18-14-5-4-12-9-17-7-6-13(12)15(14)16/h4-7,9-11,18H,2-3,8,16H2,1H3
InChIKeyLSGUFWZAHUKYMX-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
6-N-(1-cyclopropylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948121
6-N-(oxan-4-ylmethyl)isoquinoline-5,6-diamine
CID 106948100
N-(2-cyclopropylpropyl)-5-nitroisoquinolin-8-amine
CID 103141896
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
6-N-[(1,1-dioxothiolan-3-yl)methyl]isoquinoline-5,6-diamine
CID 106947989
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
CID 106947959

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine?
The IUPAC name of 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine (CID 106948405) is 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine is CC(CNc1ccc2cnccc2c1N)C1CC1.
What is the InChIKey of 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine?
The InChIKey is LSGUFWZAHUKYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(11-2-3-11)8-18-14-5-4-12-9-17-7-6-13(12)15(14)16/h4-7,9-11,18H,2-3,8,16H2,1H3.
What are the key properties of 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine?
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine is sourced from PubChem (CID 106948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).