cyclopropyl(isoquinolin-4-yl)methanamine

C13H14N2 — CID 63939976

IUPACcyclopropyl(isoquinolin-4-yl)methanamine
SMILESNC(c1cncc2ccccc12)C1CC1
InChIInChI=1S/C13H14N2/c14-13(9-5-6-9)12-8-15-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,14H2
InChIKeyCHFQWUPAWLFKEH-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.64
Rot. Bonds2

About cyclopropyl(isoquinolin-4-yl)methanamine

cyclopropyl(isoquinolin-4-yl)methanamine (PubChem CID 63939976) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is cyclopropyl(isoquinolin-4-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl(isoquinolin-4-yl)methanamine
PubChem CID63939976
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Namecyclopropyl(isoquinolin-4-yl)methanamine
SMILESNC(c1cncc2ccccc12)C1CC1
InChIInChI=1S/C13H14N2/c14-13(9-5-6-9)12-8-15-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,14H2
InChIKeyCHFQWUPAWLFKEH-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(isoquinolin-4-yl)methanamine?
The IUPAC name of cyclopropyl(isoquinolin-4-yl)methanamine (CID 63939976) is cyclopropyl(isoquinolin-4-yl)methanamine.
What is the SMILES notation for cyclopropyl(isoquinolin-4-yl)methanamine?
The canonical SMILES for cyclopropyl(isoquinolin-4-yl)methanamine is NC(c1cncc2ccccc12)C1CC1.
What is the InChIKey of cyclopropyl(isoquinolin-4-yl)methanamine?
The InChIKey is CHFQWUPAWLFKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-13(9-5-6-9)12-8-15-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,14H2.
What are the key properties of cyclopropyl(isoquinolin-4-yl)methanamine?
cyclopropyl(isoquinolin-4-yl)methanamine has a molecular weight of 198.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(isoquinolin-4-yl)methanamine is sourced from PubChem (CID 63939976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).