8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine

C15H19N3 — CID 103139301

IUPAC8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCCCC2CC2)c2cnccc12
InChIInChI=1S/C15H19N3/c16-14-5-6-15(13-10-17-9-7-12(13)14)18-8-1-2-11-3-4-11/h5-7,9-11,18H,1-4,8,16H2
InChIKeyUNMCOOFONRYCPF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.42
Rot. Bonds5

About 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine

8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine (PubChem CID 103139301) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
PubChem CID103139301
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCCCC2CC2)c2cnccc12
InChIInChI=1S/C15H19N3/c16-14-5-6-15(13-10-17-9-7-12(13)14)18-8-1-2-11-3-4-11/h5-7,9-11,18H,1-4,8,16H2
InChIKeyUNMCOOFONRYCPF-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
5-N-butylisoquinoline-5,8-diamine
CID 43448702
3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813
8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
CID 103138557
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
8-N-[3-(1H-imidazol-2-yl)propyl]isoquinoline-5,8-diamine
CID 103139262
8-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinoline-5,8-diamine
CID 103138436
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
CID 103137737
8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
CID 103137655
3-[(5-aminoisoquinolin-8-yl)amino]-2,2-difluoropropan-1-ol
CID 106167568
8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
CID 103138316

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine (CID 103139301) is 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine is Nc1ccc(NCCCC2CC2)c2cnccc12.
What is the InChIKey of 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine?
The InChIKey is UNMCOOFONRYCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-14-5-6-15(13-10-17-9-7-12(13)14)18-8-1-2-11-3-4-11/h5-7,9-11,18H,1-4,8,16H2.
What are the key properties of 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine?
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103139301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).