2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide

C20H42N10 — CID 54095971

IUPAC2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\CC/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/CC/N=C(/N)C(C)C
InChIInChI=1S/C20H42N10/c1-13(2)15(21)25-9-11-27-17(23)19(5,6)29-30-20(7,8)18(24)28-12-10-26-16(22)14(3)4/h13-14H,9-12H2,1-8H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)/b30-29+
InChIKeyMXCQIYQOZOABSW-QVIHXGFCSA-N
MW422.63 g/mol
LogP1.74
Rot. Bonds12

About 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide

2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide (PubChem CID 54095971) has the molecular formula C20H42N10 and a molecular weight of 422.63 g/mol. Its IUPAC name is 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
PubChem CID54095971
Molecular FormulaC20H42N10
Molecular Weight422.63 g/mol
Exact Mass422.36
IUPAC Name2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\CC/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/CC/N=C(/N)C(C)C
InChIInChI=1S/C20H42N10/c1-13(2)15(21)25-9-11-27-17(23)19(5,6)29-30-20(7,8)18(24)28-12-10-26-16(22)14(3)4/h13-14H,9-12H2,1-8H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)/b30-29+
InChIKeyMXCQIYQOZOABSW-QVIHXGFCSA-N
XLogP1.74
TPSA178.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.63
LogP ≤ 51.74
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'}

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Related Compounds

2-[[1-amino-1-[2-(1-aminobutylideneamino)ethylimino]butan-2-yl]diazenyl]-N'-[2-(1-aminobutylideneamino)ethyl]butanimidamide
CID 18172296
2-[(1-amino-2-methyl-1-propyliminopropan-2-yl)diazenyl]-2-methyl-N'-propylpropanimidamide
CID 20217130
2-[(1-amino-1-butylimino-2-methylpropan-2-yl)diazenyl]-N'-butyl-2-methylpropanimidamide
CID 20217138
2-[(1-amino-1-ethylimino-2-methylpropan-2-yl)diazenyl]-N'-ethyl-2-methylpropanimidamide
CID 20217147

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide?
The IUPAC name of 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide (CID 54095971) is 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide.
What is the SMILES notation for 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide?
The canonical SMILES for 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide is CC(C)/C(N)=N\CC/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/CC/N=C(/N)C(C)C.
What is the InChIKey of 2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide?
The InChIKey is MXCQIYQOZOABSW-QVIHXGFCSA-N. The full InChI is InChI=1S/C20H42N10/c1-13(2)15(21)25-9-11-27-17(23)19(5,6)29-30-20(7,8)18(24)28-12-10-26-16(22)14(3)4/h13-14H,9-12H2,1-8H3,(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-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide?
2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide has a molecular weight of 422.63 g/mol, XLogP of 1.74, 12 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-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide is sourced from PubChem (CID 54095971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).