2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine

C7H18N4O — CID 130698259

IUPAC2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine
SMILESCN(C)CC(C)(C)/N=C(\N)NO
InChIInChI=1S/C7H18N4O/c1-7(2,5-11(3)4)9-6(8)10-12/h12H,5H2,1-4H3,(H3,8,9,10)
InChIKeyGIDSZWIICHRFDH-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.38
Rot. Bonds3

About 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine

2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine (PubChem CID 130698259) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine
PubChem CID130698259
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine
SMILESCN(C)CC(C)(C)/N=C(\N)NO
InChIInChI=1S/C7H18N4O/c1-7(2,5-11(3)4)9-6(8)10-12/h12H,5H2,1-4H3,(H3,8,9,10)
InChIKeyGIDSZWIICHRFDH-UHFFFAOYSA-N
XLogP-0.38
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine
CID 88618067
2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine
CID 155071905
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
CID 62483535
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025944
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
N-[1-(dimethylamino)-2-methylpropan-2-yl]acetamide;ethane
CID 145224107
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572507

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine?
The IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine (CID 130698259) is 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine?
The canonical SMILES for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine is CN(C)CC(C)(C)/N=C(\N)NO.
What is the InChIKey of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine?
The InChIKey is GIDSZWIICHRFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-7(2,5-11(3)4)9-6(8)10-12/h12H,5H2,1-4H3,(H3,8,9,10).
What are the key properties of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine?
2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine has a molecular weight of 174.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine is sourced from PubChem (CID 130698259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).