N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide

C13H24N4O — CID 110934905

IUPACN-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyBRDJURFQWKUWAX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.76
Rot. Bonds4

About N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide

N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide (PubChem CID 110934905) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
PubChem CID110934905
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyBRDJURFQWKUWAX-UHFFFAOYSA-N
XLogP0.76
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.76
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'}

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Related Compounds

2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667
N-cyclohexyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 119133075
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
N-cyclohexyl-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111417036
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111248329
N-cyclohexyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195692
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
CID 120663324
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111402370
N-cyclohexyl-2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111956745
N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110958342

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide (CID 110934905) is N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide is C/N=C(\NCC(=O)NC1CCCCC1)NC1CC1.
What is the InChIKey of N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide?
The InChIKey is BRDJURFQWKUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17).
What are the key properties of N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide?
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 110934905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).