2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide

C20H42N10 — CID 18172296

IUPAC2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide
SMILESCCC/C(N)=N\CC/N=C(\N)C(CC)/N=N/C(CC)/C(N)=N/CC/N=C(/N)CCC
InChIInChI=1S/C20H42N10/c1-5-9-17(21)25-11-13-27-19(23)15(7-3)29-30-16(8-4)20(24)28-14-12-26-18(22)10-6-2/h15-16H,5-14H2,1-4H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)/b30-29+
InChIKeyWGZQZRLKPGUJMC-QVIHXGFCSA-N
MW422.63 g/mol
LogP2.02
Rot. Bonds16

About 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide

2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide (PubChem CID 18172296) has the molecular formula C20H42N10 and a molecular weight of 422.63 g/mol. Its IUPAC name is 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide.

Molecular Properties

Compound Name2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide
PubChem CID18172296
Molecular FormulaC20H42N10
Molecular Weight422.63 g/mol
Exact Mass422.36
IUPAC Name2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide
SMILESCCC/C(N)=N\CC/N=C(\N)C(CC)/N=N/C(CC)/C(N)=N/CC/N=C(/N)CCC
InChIInChI=1S/C20H42N10/c1-5-9-17(21)25-11-13-27-19(23)15(7-3)29-30-16(8-4)20(24)28-14-12-26-18(22)10-6-2/h15-16H,5-14H2,1-4H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)/b30-29+
InChIKeyWGZQZRLKPGUJMC-QVIHXGFCSA-N
XLogP2.02
TPSA178.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.63
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide?
The IUPAC name of 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide (CID 18172296) is 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide.
What is the SMILES notation for 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide?
The canonical SMILES for 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide is CCC/C(N)=N\CC/N=C(\N)C(CC)/N=N/C(CC)/C(N)=N/CC/N=C(/N)CCC.
What is the InChIKey of 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide?
The InChIKey is WGZQZRLKPGUJMC-QVIHXGFCSA-N. The full InChI is InChI=1S/C20H42N10/c1-5-9-17(21)25-11-13-27-19(23)15(7-3)29-30-16(8-4)20(24)28-14-12-26-18(22)10-6-2/h15-16H,5-14H2,1-4H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)/b30-29+.
What are the key properties of 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide?
2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide has a molecular weight of 422.63 g/mol, XLogP of 2.02, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide is sourced from PubChem (CID 18172296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).