N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine

C17H21N3 — CID 82572751

IUPACN-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine
SMILESc1cc2cc(NC3CC3)ccc2c(N2CCCCC2)n1
InChIInChI=1S/C17H21N3/c1-2-10-20(11-3-1)17-16-7-6-15(19-14-4-5-14)12-13(16)8-9-18-17/h6-9,12,14,19H,1-5,10-11H2
InChIKeyBQDXNIDLVXDRSY-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.80
Rot. Bonds3

About N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine

N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine (PubChem CID 82572751) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine
PubChem CID82572751
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine
SMILESc1cc2cc(NC3CC3)ccc2c(N2CCCCC2)n1
InChIInChI=1S/C17H21N3/c1-2-10-20(11-3-1)17-16-7-6-15(19-14-4-5-14)12-13(16)8-9-18-17/h6-9,12,14,19H,1-5,10-11H2
InChIKeyBQDXNIDLVXDRSY-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine
CID 82572761
1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191681
1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine
CID 82572785
4-[(1-methoxyisoquinolin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122035055
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
1-[(3R)-3-aminopyrrolidin-1-yl]-N-but-2-ynylisoquinolin-6-amine
CID 175226518
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
4-N-(6-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1,4-diamine
CID 79725201
1,4-dioxane;6-N-piperidin-3-ylisoquinoline-1,6-diamine
CID 159447229
2-bromo-N-cyclopentylpyridin-4-amine
CID 131003214

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine?
The IUPAC name of N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine (CID 82572751) is N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine.
What is the SMILES notation for N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine?
The canonical SMILES for N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine is c1cc2cc(NC3CC3)ccc2c(N2CCCCC2)n1.
What is the InChIKey of N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine?
The InChIKey is BQDXNIDLVXDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-10-20(11-3-1)17-16-7-6-15(19-14-4-5-14)12-13(16)8-9-18-17/h6-9,12,14,19H,1-5,10-11H2.
What are the key properties of N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine?
N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine has a molecular weight of 267.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine is sourced from PubChem (CID 82572751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).