5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine

C18H25N3 — CID 102713614

IUPAC5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
SMILESCCC1CCCCCN1c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C18H25N3/c1-3-14-7-5-4-6-10-21(14)18-9-8-17(19)16-12-20-13(2)11-15(16)18/h8-9,11-12,14H,3-7,10,19H2,1-2H3
InChIKeyIMINVICNGUPJGJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.28
Rot. Bonds2

About 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine

5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine (PubChem CID 102713614) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
PubChem CID102713614
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
SMILESCCC1CCCCCN1c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C18H25N3/c1-3-14-7-5-4-6-10-21(14)18-9-8-17(19)16-12-20-13(2)11-15(16)18/h8-9,11-12,14H,3-7,10,19H2,1-2H3
InChIKeyIMINVICNGUPJGJ-UHFFFAOYSA-N
XLogP4.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
CID 106949013
5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
CID 102713093
[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
CID 104691289
5-(2,3-dimethylthiomorpholin-4-yl)-3-methylisoquinolin-8-amine
CID 102713684
1-[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81248858
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
4-amino-3-(2-ethylazepan-1-yl)benzoic acid
CID 113441876
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
CID 102712921

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine (CID 102713614) is 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine is CCC1CCCCCN1c1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine?
The InChIKey is IMINVICNGUPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14-7-5-4-6-10-21(14)18-9-8-17(19)16-12-20-13(2)11-15(16)18/h8-9,11-12,14H,3-7,10,19H2,1-2H3.
What are the key properties of 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine?
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine has a molecular weight of 283.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).