N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine

C16H20N2 — CID 114548093

IUPACN-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
SMILESCC1(C)CCC(Nc2nccc3ccccc23)C1
InChIInChI=1S/C16H20N2/c1-16(2)9-7-13(11-16)18-15-14-6-4-3-5-12(14)8-10-17-15/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,17,18)
InChIKeyLVFDAHAQQKQQMP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.23
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine

N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine (PubChem CID 114548093) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
PubChem CID114548093
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
SMILESCC1(C)CCC(Nc2nccc3ccccc23)C1
InChIInChI=1S/C16H20N2/c1-16(2)9-7-13(11-16)18-15-14-6-4-3-5-12(14)8-10-17-15/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,17,18)
InChIKeyLVFDAHAQQKQQMP-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
CID 114543493
N-(3,3-dimethylcyclopentyl)quinolin-5-amine
CID 80693374
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine
CID 114265543
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
N-(3,3-dimethylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 115880924
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine (CID 114548093) is N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine is CC1(C)CCC(Nc2nccc3ccccc23)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine?
The InChIKey is LVFDAHAQQKQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2)9-7-13(11-16)18-15-14-6-4-3-5-12(14)8-10-17-15/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine?
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine has a molecular weight of 240.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine is sourced from PubChem (CID 114548093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).