2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide

C10H22N8O — CID 142831909

IUPAC2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide
SMILESC/C(N)=N\CCCCC(N)C(=O)N/C(C)=N/N=N\N
InChIInChI=1S/C10H22N8O/c1-7(11)14-6-4-3-5-9(12)10(19)15-8(2)16-18-17-13/h9H,3-6,12H2,1-2H3,(H2,11,14)(H2,13,18)(H,15,16,17,19)
InChIKeyQHLJPAGQFYEPAF-UHFFFAOYSA-N
MW270.34 g/mol
LogP-0.36
Rot. Bonds7

About 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide

2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide (PubChem CID 142831909) has the molecular formula C10H22N8O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide
PubChem CID142831909
Molecular FormulaC10H22N8O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide
SMILESC/C(N)=N\CCCCC(N)C(=O)N/C(C)=N/N=N\N
InChIInChI=1S/C10H22N8O/c1-7(11)14-6-4-3-5-9(12)10(19)15-8(2)16-18-17-13/h9H,3-6,12H2,1-2H3,(H2,11,14)(H2,13,18)(H,15,16,17,19)
InChIKeyQHLJPAGQFYEPAF-UHFFFAOYSA-N
XLogP-0.36
TPSA156.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
CID 15516535
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
2-[2-[3-amino-7-(1-aminoethylideneamino)hept-1-en-2-yl]oxyethoxy]ethyl 2-amino-6-(1-aminoethylideneamino)hexanoate
CID 142040087
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
ethyl 2-[[2-amino-6-[1-(hydroxyamino)ethylideneamino]hexanoyl]amino]-6-[1-(hydroxyamino)ethylideneamino]hexanoate
CID 20593453
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]icosanamide
CID 139764090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide?
The IUPAC name of 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide (CID 142831909) is 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide.
What is the SMILES notation for 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide?
The canonical SMILES for 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide is C/C(N)=N\CCCCC(N)C(=O)N/C(C)=N/N=N\N.
What is the InChIKey of 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide?
The InChIKey is QHLJPAGQFYEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N8O/c1-7(11)14-6-4-3-5-9(12)10(19)15-8(2)16-18-17-13/h9H,3-6,12H2,1-2H3,(H2,11,14)(H2,13,18)(H,15,16,17,19).
What are the key properties of 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide?
2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide has a molecular weight of 270.34 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide is sourced from PubChem (CID 142831909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).