2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide

C10H21IN4O — CID 119116667

IUPAC2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)NC)NC1CCCC1.I
InChIInChI=1S/C10H20N4O.HI/c1-11-9(15)7-13-10(12-2)14-8-5-3-4-6-8;/h8H,3-7H2,1-2H3,(H,11,15)(H2,12,13,14);1H
InChIKeySOSXCILNVZNXGY-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.46
Rot. Bonds3

About 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide

2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide (PubChem CID 119116667) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
PubChem CID119116667
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC Name2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)NC)NC1CCCC1.I
InChIInChI=1S/C10H20N4O.HI/c1-11-9(15)7-13-10(12-2)14-8-5-3-4-6-8;/h8H,3-7H2,1-2H3,(H,11,15)(H2,12,13,14);1H
InChIKeySOSXCILNVZNXGY-UHFFFAOYSA-N
XLogP0.46
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
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

N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
N-cyclohexyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 119133075
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110958342
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
CID 120663324
N-cyclohexyl-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111417036
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111255614
methyl 3-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]-2-methylpropanoate;hydroiodide
CID 110958638

Frequently Asked Questions

What is the IUPAC name of 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide?
The IUPAC name of 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide (CID 119116667) is 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide.
What is the SMILES notation for 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide?
The canonical SMILES for 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide is C/N=C(\NCC(=O)NC)NC1CCCC1.I.
What is the InChIKey of 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide?
The InChIKey is SOSXCILNVZNXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-11-9(15)7-13-10(12-2)14-8-5-3-4-6-8;/h8H,3-7H2,1-2H3,(H,11,15)(H2,12,13,14);1H.
What are the key properties of 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide?
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide is sourced from PubChem (CID 119116667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).