3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

C19H33IN4OS — CID 111637439

IUPAC3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(=N\C)NCC1(c2cccs2)CCCCC1.I
InChIInChI=1S/C19H32N4OS.HI/c1-3-12-21-17(24)9-13-22-18(20-2)23-15-19(10-5-4-6-11-19)16-8-7-14-25-16;/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,24)(H2,20,22,23);1H
InChIKeySWVMKHBURSKXNR-UHFFFAOYSA-N
MW492.47 g/mol
LogP3.65
Rot. Bonds8

About 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (PubChem CID 111637439) has the molecular formula C19H33IN4OS and a molecular weight of 492.47 g/mol. Its IUPAC name is 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
PubChem CID111637439
Molecular FormulaC19H33IN4OS
Molecular Weight492.47 g/mol
Exact Mass492.14
IUPAC Name3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(=N\C)NCC1(c2cccs2)CCCCC1.I
InChIInChI=1S/C19H32N4OS.HI/c1-3-12-21-17(24)9-13-22-18(20-2)23-15-19(10-5-4-6-11-19)16-8-7-14-25-16;/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,24)(H2,20,22,23);1H
InChIKeySWVMKHBURSKXNR-UHFFFAOYSA-N
XLogP3.65
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;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

3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111637297
2,2-dimethyl-N-[2-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111637073
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111637219
2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637401
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111637452
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637307
2-methyl-1-(oxan-4-ylmethyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 119141464
2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 119141458
3-[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 111581327
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
N,N-dimethyl-1-[[[N'-methyl-N-[3-oxo-3-(propylamino)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569444
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163

Frequently Asked Questions

What is the IUPAC name of 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The IUPAC name of 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (CID 111637439) is 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The canonical SMILES for 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is CCCNC(=O)CCN/C(=N\C)NCC1(c2cccs2)CCCCC1.I.
What is the InChIKey of 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The InChIKey is SWVMKHBURSKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS.HI/c1-3-12-21-17(24)9-13-22-18(20-2)23-15-19(10-5-4-6-11-19)16-8-7-14-25-16;/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,24)(H2,20,22,23);1H.
What are the key properties of 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 492.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 111637439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).