2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide

C6H15N3O2 — CID 91112332

IUPAC2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C(N)(O)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-5(2,3)6(8,10)4(7)9-11/h10-11H,8H2,1-3H3,(H2,7,9)
InChIKeyIGFXBDFHQAQTAE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.57
Rot. Bonds1

About 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide

2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide (PubChem CID 91112332) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide
PubChem CID91112332
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C(N)(O)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-5(2,3)6(8,10)4(7)9-11/h10-11H,8H2,1-3H3,(H2,7,9)
InChIKeyIGFXBDFHQAQTAE-UHFFFAOYSA-N
XLogP-0.57
TPSA104.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N'-hydroxypropanimidamide
CID 55285542
2,2,4,4-tetramethylpentane-3,3-diol
CID 15388293
2-aminopropan-2-ol;copper
CID 87854275
alumane;2-aminopropan-2-ol
CID 175409057
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
2,2,2-trifluoro-N'-hydroxyethanimidamide chloride
CID 157440651
N'-amino-2-hydroxy-2-methylpropanimidamide
CID 10351684
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062368
(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
CID 98524716
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920595
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76919969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide?
The IUPAC name of 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide (CID 91112332) is 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide.
What is the SMILES notation for 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide?
The canonical SMILES for 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide is CC(C)(C)C(N)(O)C(N)=NO.
What is the InChIKey of 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide?
The InChIKey is IGFXBDFHQAQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-5(2,3)6(8,10)4(7)9-11/h10-11H,8H2,1-3H3,(H2,7,9).
What are the key properties of 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide?
2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide has a molecular weight of 161.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N',2-dihydroxy-3,3-dimethylbutanimidamide is sourced from PubChem (CID 91112332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).