2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide

C12H26N4O — CID 111152104

IUPAC2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCCN/C(=N/CC(=O)NCCC)NCC
InChIInChI=1S/C12H26N4O/c1-4-7-9-15-12(13-6-3)16-10-11(17)14-8-5-2/h4-10H2,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyCWVKRTAITFWETJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.87
Rot. Bonds8

About 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide

2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide (PubChem CID 111152104) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
PubChem CID111152104
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCCN/C(=N/CC(=O)NCCC)NCC
InChIInChI=1S/C12H26N4O/c1-4-7-9-15-12(13-6-3)16-10-11(17)14-8-5-2/h4-10H2,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyCWVKRTAITFWETJ-UHFFFAOYSA-N
XLogP0.87
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
CID 111199790
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N-propylacetamide
CID 111212817
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
CID 111579841
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 111648720
2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111006182

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide (CID 111152104) is 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide is CCCCN/C(=N/CC(=O)NCCC)NCC.
What is the InChIKey of 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is CWVKRTAITFWETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-7-9-15-12(13-6-3)16-10-11(17)14-8-5-2/h4-10H2,1-3H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide?
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 242.37 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111152104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).