4-[(4-amino-4-iminobutyl)amino]butanimidamide

C8H19N5 — CID 58052669

IUPAC4-[(4-amino-4-iminobutyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCNCCC/C(N)=N/[H]
InChIInChI=1S/C8H19N5/c9-7(10)3-1-5-13-6-2-4-8(11)12/h13H,1-6H2,(H3,9,10)(H3,11,12)
InChIKeyMVCNZQFCJAILHF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.01
Rot. Bonds8

About 4-[(4-amino-4-iminobutyl)amino]butanimidamide

4-[(4-amino-4-iminobutyl)amino]butanimidamide (PubChem CID 58052669) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(4-amino-4-iminobutyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[(4-amino-4-iminobutyl)amino]butanimidamide
PubChem CID58052669
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name4-[(4-amino-4-iminobutyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCNCCC/C(N)=N/[H]
InChIInChI=1S/C8H19N5/c9-7(10)3-1-5-13-6-2-4-8(11)12/h13H,1-6H2,(H3,9,10)(H3,11,12)
InChIKeyMVCNZQFCJAILHF-UHFFFAOYSA-N
XLogP0.01
TPSA111.77 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.01
H-Bond Donors ≤ 55
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-4-iminobutyl)amino]butanimidamide?
The IUPAC name of 4-[(4-amino-4-iminobutyl)amino]butanimidamide (CID 58052669) is 4-[(4-amino-4-iminobutyl)amino]butanimidamide.
What is the SMILES notation for 4-[(4-amino-4-iminobutyl)amino]butanimidamide?
The canonical SMILES for 4-[(4-amino-4-iminobutyl)amino]butanimidamide is [H]/N=C(\N)CCCNCCC/C(N)=N/[H].
What is the InChIKey of 4-[(4-amino-4-iminobutyl)amino]butanimidamide?
The InChIKey is MVCNZQFCJAILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c9-7(10)3-1-5-13-6-2-4-8(11)12/h13H,1-6H2,(H3,9,10)(H3,11,12).
What are the key properties of 4-[(4-amino-4-iminobutyl)amino]butanimidamide?
4-[(4-amino-4-iminobutyl)amino]butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.01, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-4-iminobutyl)amino]butanimidamide is sourced from PubChem (CID 58052669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).