N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide

C8H18N4O — CID 90212346

IUPACN-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide
SMILESCCNCCC/N=C(\N)NC(C)=O
InChIInChI=1S/C8H18N4O/c1-3-10-5-4-6-11-8(9)12-7(2)13/h10H,3-6H2,1-2H3,(H3,9,11,12,13)
InChIKeyWNTATDNAOMCSKK-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.56
Rot. Bonds5

About N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide

N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide (PubChem CID 90212346) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide
PubChem CID90212346
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide
SMILESCCNCCC/N=C(\N)NC(C)=O
InChIInChI=1S/C8H18N4O/c1-3-10-5-4-6-11-8(9)12-7(2)13/h10H,3-6H2,1-2H3,(H3,9,11,12,13)
InChIKeyWNTATDNAOMCSKK-UHFFFAOYSA-N
XLogP-0.56
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.56
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide (CID 90212346) is N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide is CCNCCC/N=C(\N)NC(C)=O.
What is the InChIKey of N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide?
The InChIKey is WNTATDNAOMCSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-3-10-5-4-6-11-8(9)12-7(2)13/h10H,3-6H2,1-2H3,(H3,9,11,12,13).
What are the key properties of N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide?
N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide has a molecular weight of 186.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide is sourced from PubChem (CID 90212346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).