N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide

C8H17N3O — CID 173467948

IUPACN-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
SMILESCCCCNN=C(C)NC(C)=O
InChIInChI=1S/C8H17N3O/c1-4-5-6-9-11-7(2)10-8(3)12/h9H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyHCEUZPLWKKYWNO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.85
Rot. Bonds4

About N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide

N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide (PubChem CID 173467948) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
PubChem CID173467948
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
SMILESCCCCNN=C(C)NC(C)=O
InChIInChI=1S/C8H17N3O/c1-4-5-6-9-11-7(2)10-8(3)12/h9H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyHCEUZPLWKKYWNO-UHFFFAOYSA-N
XLogP0.85
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(octadecylhydrazinylidene)propanoic acid
CID 88766395
[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium
CID 90474149
N-butylacetamide;molecular hydrogen
CID 142252069
2-(propylhydrazinylidene)propanoic acid
CID 73183649
N-acetylundecanamide
CID 18949728
N-butylacetamide;propanoic acid
CID 87146552
acetamide;N-butylbutan-1-amine
CID 172792447
butan-2-one;N-butylbutan-1-amine
CID 161180085
N'-(3-acetamidopropyl)-N-butylpropanediamide
CID 59843703
N-(acetylcarbamoyl)pentanamide
CID 57354637
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805

Frequently Asked Questions

What is the IUPAC name of N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide?
The IUPAC name of N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide (CID 173467948) is N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide.
What is the SMILES notation for N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide?
The canonical SMILES for N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide is CCCCNN=C(C)NC(C)=O.
What is the InChIKey of N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide?
The InChIKey is HCEUZPLWKKYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-5-6-9-11-7(2)10-8(3)12/h9H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide?
N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide is sourced from PubChem (CID 173467948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).