5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine

C15H19N3 — CID 102712921

IUPAC5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
SMILESCc1cc2c(NC3CCCC3)ccc(N)c2cn1
InChIInChI=1S/C15H19N3/c1-10-8-12-13(9-17-10)14(16)6-7-15(12)18-11-4-2-3-5-11/h6-9,11,18H,2-5,16H2,1H3
InChIKeyIIUBDEWIBWDZDD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.48
Rot. Bonds2

About 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine

5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine (PubChem CID 102712921) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
PubChem CID102712921
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
SMILESCc1cc2c(NC3CCCC3)ccc(N)c2cn1
InChIInChI=1S/C15H19N3/c1-10-8-12-13(9-17-10)14(16)6-7-15(12)18-11-4-2-3-5-11/h6-9,11,18H,2-5,16H2,1H3
InChIKeyIIUBDEWIBWDZDD-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.48
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

3-methyl-5-N-(thiolan-3-yl)isoquinoline-5,8-diamine
CID 103062439
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
5-N-(2-cyclopropylpropyl)-3-methylisoquinoline-5,8-diamine
CID 102713629
2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide
CID 102713604
3-methyl-5-N-[(1-methylpiperidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713266
3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
CID 102713792
3-methyl-5-N-(oxolan-3-ylmethyl)isoquinoline-5,8-diamine
CID 102713341
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907
6-methyl-4-N-piperidin-4-ylpyridine-3,4-diamine
CID 145484790
5-[(8-amino-3-methylisoquinolin-5-yl)amino]pentan-1-ol
CID 107316515
5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine
CID 102712923

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine (CID 102712921) is 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine is Cc1cc2c(NC3CCCC3)ccc(N)c2cn1.
What is the InChIKey of 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine?
The InChIKey is IIUBDEWIBWDZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-8-12-13(9-17-10)14(16)6-7-15(12)18-11-4-2-3-5-11/h6-9,11,18H,2-5,16H2,1H3.
What are the key properties of 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine?
5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine is sourced from PubChem (CID 102712921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).