8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine

C17H21N3 — CID 103138557

IUPAC8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCC(C2CC2)C2CC2)c2cnccc12
InChIInChI=1S/C17H21N3/c18-16-5-6-17(15-9-19-8-7-13(15)16)20-10-14(11-1-2-11)12-3-4-12/h5-9,11-12,14,20H,1-4,10,18H2
InChIKeyYSKODIYMNBKCAK-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.67
Rot. Bonds5

About 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine

8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine (PubChem CID 103138557) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
PubChem CID103138557
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NCC(C2CC2)C2CC2)c2cnccc12
InChIInChI=1S/C17H21N3/c18-16-5-6-17(15-9-19-8-7-13(15)16)20-10-14(11-1-2-11)12-3-4-12/h5-9,11-12,14,20H,1-4,10,18H2
InChIKeyYSKODIYMNBKCAK-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.67
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

8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
CID 103137655
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
CID 103139301
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150993
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
CID 103137737
8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
CID 103138316
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103139050
4-[(8-aminoisoquinolin-5-yl)amino]-3-methylbutan-1-ol
CID 66089874
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
CID 106948405

Frequently Asked Questions

What is the IUPAC name of 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine (CID 103138557) is 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine is Nc1ccc(NCC(C2CC2)C2CC2)c2cnccc12.
What is the InChIKey of 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine?
The InChIKey is YSKODIYMNBKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-16-5-6-17(15-9-19-8-7-13(15)16)20-10-14(11-1-2-11)12-3-4-12/h5-9,11-12,14,20H,1-4,10,18H2.
What are the key properties of 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine?
8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine has a molecular weight of 267.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103138557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).