1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine

C12H15N5 — CID 116510984

IUPAC1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1cccc2cccnc12
InChIInChI=1S/C12H15N5/c1-14-12(17-13)16-8-10-5-2-4-9-6-3-7-15-11(9)10/h2-7H,8,13H2,1H3,(H2,14,16,17)
InChIKeyZZPWMBSSILQWJS-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.77
Rot. Bonds2

About 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine

1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine (PubChem CID 116510984) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
PubChem CID116510984
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1cccc2cccnc12
InChIInChI=1S/C12H15N5/c1-14-12(17-13)16-8-10-5-2-4-9-6-3-7-15-11(9)10/h2-7H,8,13H2,1H3,(H2,14,16,17)
InChIKeyZZPWMBSSILQWJS-UHFFFAOYSA-N
XLogP0.77
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.77
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-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
CID 111243449
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111901821
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111692540
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111865011
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111692539
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111276440
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 110986186
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111324409
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111401842
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine (CID 116510984) is 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine is C/N=C(\NN)NCc1cccc2cccnc12.
What is the InChIKey of 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The InChIKey is ZZPWMBSSILQWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-14-12(17-13)16-8-10-5-2-4-9-6-3-7-15-11(9)10/h2-7H,8,13H2,1H3,(H2,14,16,17).
What are the key properties of 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine has a molecular weight of 229.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 116510984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).