2-[4-(4-aminobutylamino)butyl]guanidine

C9H23N5 — CID 10397928

IUPAC2-[4-(4-aminobutylamino)butyl]guanidine
SMILESNCCCCNCCCCN=C(N)N
InChIInChI=1S/C9H23N5/c10-5-1-2-6-13-7-3-4-8-14-9(11)12/h13H,1-8,10H2,(H4,11,12,14)
InChIKeyUWMSMUFMGYNQGW-UHFFFAOYSA-N
MW201.32 g/mol
LogP-0.63
Rot. Bonds9

About 2-[4-(4-aminobutylamino)butyl]guanidine

2-[4-(4-aminobutylamino)butyl]guanidine (PubChem CID 10397928) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 2-[4-(4-aminobutylamino)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(4-aminobutylamino)butyl]guanidine
PubChem CID10397928
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name2-[4-(4-aminobutylamino)butyl]guanidine
SMILESNCCCCNCCCCN=C(N)N
InChIInChI=1S/C9H23N5/c10-5-1-2-6-13-7-3-4-8-14-9(11)12/h13H,1-8,10H2,(H4,11,12,14)
InChIKeyUWMSMUFMGYNQGW-UHFFFAOYSA-N
XLogP-0.63
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
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 2-[4-(4-aminobutylamino)butyl]guanidine?
The IUPAC name of 2-[4-(4-aminobutylamino)butyl]guanidine (CID 10397928) is 2-[4-(4-aminobutylamino)butyl]guanidine.
What is the SMILES notation for 2-[4-(4-aminobutylamino)butyl]guanidine?
The canonical SMILES for 2-[4-(4-aminobutylamino)butyl]guanidine is NCCCCNCCCCN=C(N)N.
What is the InChIKey of 2-[4-(4-aminobutylamino)butyl]guanidine?
The InChIKey is UWMSMUFMGYNQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c10-5-1-2-6-13-7-3-4-8-14-9(11)12/h13H,1-8,10H2,(H4,11,12,14).
What are the key properties of 2-[4-(4-aminobutylamino)butyl]guanidine?
2-[4-(4-aminobutylamino)butyl]guanidine has a molecular weight of 201.32 g/mol, XLogP of -0.63, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutylamino)butyl]guanidine is sourced from PubChem (CID 10397928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).