[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium

C8H21N6+ — CID 146937640

IUPAC[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
SMILESCC(C)(/N=N/C(C)(C)C(N)N)C(N)=[NH2+]
InChIInChI=1S/C8H20N6/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h5H,9-10H2,1-4H3,(H3,11,12)/p+1/b14-13+
InChIKeyIYDBENXYWMEDIZ-BUHFOSPRSA-O
MW201.30 g/mol
LogP-1.64
Rot. Bonds4

About [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium

[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium (PubChem CID 146937640) has the molecular formula C8H21N6+ and a molecular weight of 201.30 g/mol. Its IUPAC name is [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
PubChem CID146937640
Molecular FormulaC8H21N6+
Molecular Weight201.30 g/mol
Exact Mass201.18
IUPAC Name[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
SMILESCC(C)(/N=N/C(C)(C)C(N)N)C(N)=[NH2+]
InChIInChI=1S/C8H20N6/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h5H,9-10H2,1-4H3,(H3,11,12)/p+1/b14-13+
InChIKeyIYDBENXYWMEDIZ-BUHFOSPRSA-O
XLogP-1.64
TPSA128.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-amino-2-[(1-amino-1-azaniumylidene-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
CID 24848207
[1-amino-2-[(1-amino-1-azaniumylidene-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium;N,N-dibutyl-1,1-dicyanomethanesulfonamide
CID 159218317
2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
CID 154121266
2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide
CID 126695372
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
CID 102378205
CID 102378205
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
2-fluoro-2,4,4-trimethylpentan-3-amine
CID 84763032
2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
CID 18769831
(1-amino-2-methylpropylidene)azanium
CID 6346755
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
N'-amino-2-hydroxy-2-methylpropanimidamide
CID 10351684

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium?
The IUPAC name of [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium (CID 146937640) is [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium.
What is the SMILES notation for [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium?
The canonical SMILES for [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium is CC(C)(/N=N/C(C)(C)C(N)N)C(N)=[NH2+].
What is the InChIKey of [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium?
The InChIKey is IYDBENXYWMEDIZ-BUHFOSPRSA-O. The full InChI is InChI=1S/C8H20N6/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h5H,9-10H2,1-4H3,(H3,11,12)/p+1/b14-13+.
What are the key properties of [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium?
[1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium has a molecular weight of 201.30 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[(1,1-diamino-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium is sourced from PubChem (CID 146937640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).