(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide

C11H20N6O — CID 15516535

IUPAC(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H20N6O/c1-8(12)14-5-3-2-4-9(13)10(18)17-11-15-6-7-16-11/h6-7,9H,2-5,13H2,1H3,(H2,12,14)(H2,15,16,17,18)/t9-/m0/s1
InChIKeyWQFPRCXRFSJRLB-VIFPVBQESA-N
MW252.32 g/mol
LogP0.22
Rot. Bonds7

About (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide

(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide (PubChem CID 15516535) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
PubChem CID15516535
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H20N6O/c1-8(12)14-5-3-2-4-9(13)10(18)17-11-15-6-7-16-11/h6-7,9H,2-5,13H2,1H3,(H2,12,14)(H2,15,16,17,18)/t9-/m0/s1
InChIKeyWQFPRCXRFSJRLB-VIFPVBQESA-N
XLogP0.22
TPSA122.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
2-amino-N-[(E)-N-[(Z)-aminodiazenyl]-C-methylcarbonimidoyl]-6-(1-aminoethylideneamino)hexanamide
CID 142831909
2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
CID 55213744
N'-(1H-imidazol-2-yl)-2-(4-methylphenyl)propanediamide
CID 68971384
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
2-amino-2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 130806434
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide (CID 15516535) is (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide is C/C(N)=N\CCCC[C@H](N)C(=O)Nc1ncc[nH]1.
What is the InChIKey of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide?
The InChIKey is WQFPRCXRFSJRLB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N6O/c1-8(12)14-5-3-2-4-9(13)10(18)17-11-15-6-7-16-11/h6-7,9H,2-5,13H2,1H3,(H2,12,14)(H2,15,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide?
(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide has a molecular weight of 252.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide is sourced from PubChem (CID 15516535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).