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

C8H16N4O — CID 62363959

IUPAC4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\N)NC1CC1
InChIInChI=1S/C8H16N4O/c9-7(13)2-1-5-11-8(10)12-6-3-4-6/h6H,1-5H2,(H2,9,13)(H3,10,11,12)
InChIKeyUYQRKNHUWHJKGV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.68
Rot. Bonds5

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

4-[[amino-(cyclopropylamino)methylidene]amino]butanamide (PubChem CID 62363959) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide.

Molecular Properties

Compound Name4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
PubChem CID62363959
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\N)NC1CC1
InChIInChI=1S/C8H16N4O/c9-7(13)2-1-5-11-8(10)12-6-3-4-6/h6H,1-5H2,(H2,9,13)(H3,10,11,12)
InChIKeyUYQRKNHUWHJKGV-UHFFFAOYSA-N
XLogP-0.68
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.68
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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Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide?
The IUPAC name of 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide (CID 62363959) is 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide.
What is the SMILES notation for 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide?
The canonical SMILES for 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide is NC(=O)CCC/N=C(\N)NC1CC1.
What is the InChIKey of 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide?
The InChIKey is UYQRKNHUWHJKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-7(13)2-1-5-11-8(10)12-6-3-4-6/h6H,1-5H2,(H2,9,13)(H3,10,11,12).
What are the key properties of 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide?
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide has a molecular weight of 184.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(cyclopropylamino)methylidene]amino]butanamide is sourced from PubChem (CID 62363959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).