N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide

C17H35IN4O2 — CID 111402370

IUPACN-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(\NCCCOCC(C)C)NCC(=O)NC1CCCCC1.I
InChIInChI=1S/C17H34N4O2.HI/c1-14(2)13-23-11-7-10-19-17(18-3)20-12-16(22)21-15-8-5-4-6-9-15;/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20);1H
InChIKeyIRSJPYJAVGBZSA-UHFFFAOYSA-N
MW454.40 g/mol
LogP2.28
Rot. Bonds9

About N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide

N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide (PubChem CID 111402370) has the molecular formula C17H35IN4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
PubChem CID111402370
Molecular FormulaC17H35IN4O2
Molecular Weight454.40 g/mol
Exact Mass454.18
IUPAC NameN-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(\NCCCOCC(C)C)NCC(=O)NC1CCCCC1.I
InChIInChI=1S/C17H34N4O2.HI/c1-14(2)13-23-11-7-10-19-17(18-3)20-12-16(22)21-15-8-5-4-6-9-15;/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20);1H
InChIKeyIRSJPYJAVGBZSA-UHFFFAOYSA-N
XLogP2.28
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-cyclopropyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 75511893
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111248329
3-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111400456
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
N-cyclohexyl-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111417036
N-cyclohexyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 119133075
1-(2-cyclopropylethyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111604861
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]butanamide;hydroiodide
CID 111400764
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-propylguanidine
CID 111225563
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401004
N-cyclohexyl-2-[[N-[3-(4-fluorophenyl)sulfanylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111311362

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide (CID 111402370) is N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide is C/N=C(\NCCCOCC(C)C)NCC(=O)NC1CCCCC1.I.
What is the InChIKey of N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide?
The InChIKey is IRSJPYJAVGBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.HI/c1-14(2)13-23-11-7-10-19-17(18-3)20-12-16(22)21-15-8-5-4-6-9-15;/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20);1H.
What are the key properties of N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide?
N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide has a molecular weight of 454.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide is sourced from PubChem (CID 111402370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).