N'-(4-aminobutyl)but-3-enimidamide

C8H17N3 — CID 46235667

IUPACN'-(4-aminobutyl)but-3-enimidamide
SMILESC=CC/C(N)=N\CCCCN
InChIInChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2H,1,3-7,9H2,(H2,10,11)
InChIKeyUHRBMIUEKLWEPB-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.66
Rot. Bonds6

About N'-(4-aminobutyl)but-3-enimidamide

N'-(4-aminobutyl)but-3-enimidamide (PubChem CID 46235667) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N'-(4-aminobutyl)but-3-enimidamide.

Molecular Properties

Compound NameN'-(4-aminobutyl)but-3-enimidamide
PubChem CID46235667
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN'-(4-aminobutyl)but-3-enimidamide
SMILESC=CC/C(N)=N\CCCCN
InChIInChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2H,1,3-7,9H2,(H2,10,11)
InChIKeyUHRBMIUEKLWEPB-UHFFFAOYSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)but-3-enimidamide?
The IUPAC name of N'-(4-aminobutyl)but-3-enimidamide (CID 46235667) is N'-(4-aminobutyl)but-3-enimidamide.
What is the SMILES notation for N'-(4-aminobutyl)but-3-enimidamide?
The canonical SMILES for N'-(4-aminobutyl)but-3-enimidamide is C=CC/C(N)=N\CCCCN.
What is the InChIKey of N'-(4-aminobutyl)but-3-enimidamide?
The InChIKey is UHRBMIUEKLWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2H,1,3-7,9H2,(H2,10,11).
What are the key properties of N'-(4-aminobutyl)but-3-enimidamide?
N'-(4-aminobutyl)but-3-enimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)but-3-enimidamide is sourced from PubChem (CID 46235667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).