4-[[amino(ethylamino)methylidene]amino]butanamide

C7H16N4O — CID 62363745

IUPAC4-[[amino(ethylamino)methylidene]amino]butanamide
SMILESCCN/C(N)=N/CCCC(N)=O
InChIInChI=1S/C7H16N4O/c1-2-10-7(9)11-5-3-4-6(8)12/h2-5H2,1H3,(H2,8,12)(H3,9,10,11)
InChIKeyVZWMOEFWBHQSEY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.82
Rot. Bonds5

About 4-[[amino(ethylamino)methylidene]amino]butanamide

4-[[amino(ethylamino)methylidene]amino]butanamide (PubChem CID 62363745) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[[amino(ethylamino)methylidene]amino]butanamide.

Molecular Properties

Compound Name4-[[amino(ethylamino)methylidene]amino]butanamide
PubChem CID62363745
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name4-[[amino(ethylamino)methylidene]amino]butanamide
SMILESCCN/C(N)=N/CCCC(N)=O
InChIInChI=1S/C7H16N4O/c1-2-10-7(9)11-5-3-4-6(8)12/h2-5H2,1H3,(H2,8,12)(H3,9,10,11)
InChIKeyVZWMOEFWBHQSEY-UHFFFAOYSA-N
XLogP-0.82
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.82
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

3-[[amino(ethylamino)methylidene]amino]propanamide
CID 62361753
1-ethyl-2-nonylguanidine
CID 111034740
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
5-[[amino-(hydroxyamino)methylidene]amino]pentanamide
CID 106241334
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 62363760
1-ethyl-2-(2-sulfamoylethyl)guanidine
CID 62364849
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
(2S)-2-amino-4-[[amino(ethylamino)methylidene]amino]butanoic acid
CID 11286925
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097

Frequently Asked Questions

What is the IUPAC name of 4-[[amino(ethylamino)methylidene]amino]butanamide?
The IUPAC name of 4-[[amino(ethylamino)methylidene]amino]butanamide (CID 62363745) is 4-[[amino(ethylamino)methylidene]amino]butanamide.
What is the SMILES notation for 4-[[amino(ethylamino)methylidene]amino]butanamide?
The canonical SMILES for 4-[[amino(ethylamino)methylidene]amino]butanamide is CCN/C(N)=N/CCCC(N)=O.
What is the InChIKey of 4-[[amino(ethylamino)methylidene]amino]butanamide?
The InChIKey is VZWMOEFWBHQSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-2-10-7(9)11-5-3-4-6(8)12/h2-5H2,1H3,(H2,8,12)(H3,9,10,11).
What are the key properties of 4-[[amino(ethylamino)methylidene]amino]butanamide?
4-[[amino(ethylamino)methylidene]amino]butanamide has a molecular weight of 172.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino(ethylamino)methylidene]amino]butanamide is sourced from PubChem (CID 62363745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).