1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

C15H19IN4 — CID 110030751

IUPAC1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1cccc2cccnc12)C1CC1.I
InChIInChI=1S/C15H18N4.HI/c1-19(13-7-8-13)15(16)18-10-12-5-2-4-11-6-3-9-17-14(11)12;/h2-6,9,13H,7-8,10H2,1H3,(H2,16,18);1H
InChIKeyYRETXLOWQWRNSM-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (PubChem CID 110030751) has the molecular formula C15H19IN4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
PubChem CID110030751
Molecular FormulaC15H19IN4
Molecular Weight382.25 g/mol
Exact Mass382.07
IUPAC Name1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1cccc2cccnc12)C1CC1.I
InChIInChI=1S/C15H18N4.HI/c1-19(13-7-8-13)15(16)18-10-12-5-2-4-11-6-3-9-17-14(11)12;/h2-6,9,13H,7-8,10H2,1H3,(H2,16,18);1H
InChIKeyYRETXLOWQWRNSM-UHFFFAOYSA-N
XLogP2.76
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
CID 110031795
1-cyclopropyl-1-methyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110030335
1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76911837
1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111089599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (CID 110030751) is 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is CN(/C(N)=N/Cc1cccc2cccnc12)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The InChIKey is YRETXLOWQWRNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.HI/c1-19(13-7-8-13)15(16)18-10-12-5-2-4-11-6-3-9-17-14(11)12;/h2-6,9,13H,7-8,10H2,1H3,(H2,16,18);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide has a molecular weight of 382.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110030751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).