2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

C16H23IN4 — CID 111968454

IUPAC2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1ccnc2ccccc12)NCC(C)C.I
InChIInChI=1S/C16H22N4.HI/c1-12(2)10-19-16(17-3)20-11-13-8-9-18-15-7-5-4-6-14(13)15;/h4-9,12H,10-11H2,1-3H3,(H2,17,19,20);1H
InChIKeyRCOPFOXCGABRGQ-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 111968454) has the molecular formula C16H23IN4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
PubChem CID111968454
Molecular FormulaC16H23IN4
Molecular Weight398.29 g/mol
Exact Mass398.10
IUPAC Name2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1ccnc2ccccc12)NCC(C)C.I
InChIInChI=1S/C16H22N4.HI/c1-12(2)10-19-16(17-3)20-11-13-8-9-18-15-7-5-4-6-14(13)15;/h4-9,12H,10-11H2,1-3H3,(H2,17,19,20);1H
InChIKeyRCOPFOXCGABRGQ-UHFFFAOYSA-N
XLogP3.17
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
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'}

Analyze 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111978589
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968058
2-methyl-1-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-(quinolin-4-ylmethyl)guanidine
CID 111968237
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968611
1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968573
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111980770
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968551
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180252
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111982107
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(quinolin-4-ylmethyl)guanidine
CID 111969015
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (CID 111968454) is 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is C/N=C(/NCc1ccnc2ccccc12)NCC(C)C.I.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is RCOPFOXCGABRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.HI/c1-12(2)10-19-16(17-3)20-11-13-8-9-18-15-7-5-4-6-14(13)15;/h4-9,12H,10-11H2,1-3H3,(H2,17,19,20);1H.
What are the key properties of 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 398.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111968454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).