N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide

C10H20N4O — CID 172589897

IUPACN-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide
SMILESC/N=C(\N)NC1CCC(NC(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-7(15)13-8-3-5-9(6-4-8)14-10(11)12-2/h8-9H,3-6H2,1-2H3,(H,13,15)(H3,11,12,14)
InChIKeyAXKLPUBTIWJKIP-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.03
Rot. Bonds2

About N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide

N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide (PubChem CID 172589897) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide
PubChem CID172589897
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide
SMILESC/N=C(\N)NC1CCC(NC(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-7(15)13-8-3-5-9(6-4-8)14-10(11)12-2/h8-9H,3-6H2,1-2H3,(H,13,15)(H3,11,12,14)
InChIKeyAXKLPUBTIWJKIP-UHFFFAOYSA-N
XLogP-0.03
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide (CID 172589897) is N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide is C/N=C(\N)NC1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide?
The InChIKey is AXKLPUBTIWJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(15)13-8-3-5-9(6-4-8)14-10(11)12-2/h8-9H,3-6H2,1-2H3,(H,13,15)(H3,11,12,14).
What are the key properties of N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide?
N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 172589897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).