1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

C15H26IN3S — CID 111257332

IUPAC1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCC1CCCC1)NCc1cccs1.I
InChIInChI=1S/C15H25N3S.HI/c1-16-15(18-12-14-9-5-11-19-14)17-10-4-8-13-6-2-3-7-13;/h5,9,11,13H,2-4,6-8,10,12H2,1H3,(H2,16,17,18);1H
InChIKeyHVLACNCKRASPHA-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111257332) has the molecular formula C15H26IN3S and a molecular weight of 407.37 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
PubChem CID111257332
Molecular FormulaC15H26IN3S
Molecular Weight407.37 g/mol
Exact Mass407.09
IUPAC Name1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCC1CCCC1)NCc1cccs1.I
InChIInChI=1S/C15H25N3S.HI/c1-16-15(18-12-14-9-5-11-19-14)17-10-4-8-13-6-2-3-7-13;/h5,9,11,13H,2-4,6-8,10,12H2,1H3,(H2,16,17,18);1H
InChIKeyHVLACNCKRASPHA-UHFFFAOYSA-N
XLogP4.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[[(3-cyclopentylpropylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364231
N-[3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111946593
1-(2-cycloheptyloxyethyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111575540
1-(3-cyclopentylpropyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111946723
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258542
1-(3-cyclopropylpropyl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111794805
N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111258358
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
2-methyl-1-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259910
N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111257915
1-[3-(4-methoxyphenoxy)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259720
1-[(4-cyanophenyl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 111946674

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (CID 111257332) is 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCCCC1CCCC1)NCc1cccs1.I.
What is the InChIKey of 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is HVLACNCKRASPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S.HI/c1-16-15(18-12-14-9-5-11-19-14)17-10-4-8-13-6-2-3-7-13;/h5,9,11,13H,2-4,6-8,10,12H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 407.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111257332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).