1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine

C13H15N5 — CID 116515928

IUPAC1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine
SMILESNN/C(=N\C1CC1)Nc1cccc2ccncc12
InChIInChI=1S/C13H15N5/c14-18-13(16-10-4-5-10)17-12-3-1-2-9-6-7-15-8-11(9)12/h1-3,6-8,10H,4-5,14H2,(H2,16,17,18)
InChIKeyNGOFESNDCVTHRO-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.63
Rot. Bonds2

About 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine

1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine (PubChem CID 116515928) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine
PubChem CID116515928
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine
SMILESNN/C(=N\C1CC1)Nc1cccc2ccncc12
InChIInChI=1S/C13H15N5/c14-18-13(16-10-4-5-10)17-12-3-1-2-9-6-7-15-8-11(9)12/h1-3,6-8,10H,4-5,14H2,(H2,16,17,18)
InChIKeyNGOFESNDCVTHRO-UHFFFAOYSA-N
XLogP1.63
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-cyclopropyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515203
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
isoquinolin-8-ylurea
CID 67363282
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945466
1-amino-2-isoquinolin-8-yl-3-phenylguanidine
CID 116515926
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
4-amino-N-isoquinolin-8-yl-2-methylbutanamide
CID 80543976
N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
CID 115929357
N-(2-methylthiolan-3-yl)isoquinolin-8-amine
CID 102672889
isoquinolin-8-ol
CID 135441711
N-propylisoquinolin-8-amine
CID 54033424

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine (CID 116515928) is 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine is NN/C(=N\C1CC1)Nc1cccc2ccncc12.
What is the InChIKey of 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine?
The InChIKey is NGOFESNDCVTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-18-13(16-10-4-5-10)17-12-3-1-2-9-6-7-15-8-11(9)12/h1-3,6-8,10H,4-5,14H2,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine?
1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine has a molecular weight of 241.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine is sourced from PubChem (CID 116515928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).