N-cyclopentylisoquinolin-4-amine

C14H16N2 — CID 115908742

IUPACN-cyclopentylisoquinolin-4-amine
SMILESc1ccc2c(NC3CCCC3)cncc2c1
InChIInChI=1S/C14H16N2/c1-4-8-13-11(5-1)9-15-10-14(13)16-12-6-2-3-7-12/h1,4-5,8-10,12,16H,2-3,6-7H2
InChIKeyJLYYCPQYQXVMSO-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.59
Rot. Bonds2

About N-cyclopentylisoquinolin-4-amine

N-cyclopentylisoquinolin-4-amine (PubChem CID 115908742) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-cyclopentylisoquinolin-4-amine.

Molecular Properties

Compound NameN-cyclopentylisoquinolin-4-amine
PubChem CID115908742
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-cyclopentylisoquinolin-4-amine
SMILESc1ccc2c(NC3CCCC3)cncc2c1
InChIInChI=1S/C14H16N2/c1-4-8-13-11(5-1)9-15-10-14(13)16-12-6-2-3-7-12/h1,4-5,8-10,12,16H,2-3,6-7H2
InChIKeyJLYYCPQYQXVMSO-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylisoquinoline
CID 21394649
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
N-tert-butylisoquinolin-4-amine
CID 58709881
4-chloro-N-cyclooctylpyridin-3-amine
CID 83166915
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
CID 43780496
N-cyclohexyl-3-cyclopropylisoquinolin-1-amine
CID 53474775
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylisoquinolin-4-amine?
The IUPAC name of N-cyclopentylisoquinolin-4-amine (CID 115908742) is N-cyclopentylisoquinolin-4-amine.
What is the SMILES notation for N-cyclopentylisoquinolin-4-amine?
The canonical SMILES for N-cyclopentylisoquinolin-4-amine is c1ccc2c(NC3CCCC3)cncc2c1.
What is the InChIKey of N-cyclopentylisoquinolin-4-amine?
The InChIKey is JLYYCPQYQXVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-8-13-11(5-1)9-15-10-14(13)16-12-6-2-3-7-12/h1,4-5,8-10,12,16H,2-3,6-7H2.
What are the key properties of N-cyclopentylisoquinolin-4-amine?
N-cyclopentylisoquinolin-4-amine has a molecular weight of 212.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylisoquinolin-4-amine is sourced from PubChem (CID 115908742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).