8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine

C16H21N3 — CID 103138316

IUPAC8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
SMILESCC1(CNc2ccc(N)c3ccncc23)CCCC1
InChIInChI=1S/C16H21N3/c1-16(7-2-3-8-16)11-19-15-5-4-14(17)12-6-9-18-10-13(12)15/h4-6,9-10,19H,2-3,7-8,11,17H2,1H3
InChIKeySNYTVZGWVIYXJH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.81
Rot. Bonds3

About 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine

8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine (PubChem CID 103138316) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
PubChem CID103138316
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
SMILESCC1(CNc2ccc(N)c3ccncc23)CCCC1
InChIInChI=1S/C16H21N3/c1-16(7-2-3-8-16)11-19-15-5-4-14(17)12-6-9-18-10-13(12)15/h4-6,9-10,19H,2-3,7-8,11,17H2,1H3
InChIKeySNYTVZGWVIYXJH-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.81
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-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
CID 103137737
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
CID 103138557
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
CID 103139301
[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 62523969
2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103139050
1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150993
3-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103139100

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine?
The IUPAC name of 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine (CID 103138316) is 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine is CC1(CNc2ccc(N)c3ccncc23)CCCC1.
What is the InChIKey of 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine?
The InChIKey is SNYTVZGWVIYXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(7-2-3-8-16)11-19-15-5-4-14(17)12-6-9-18-10-13(12)15/h4-6,9-10,19H,2-3,7-8,11,17H2,1H3.
What are the key properties of 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine?
8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine is sourced from PubChem (CID 103138316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).