3-amino-2,2-dimethylbut-3-enimidamide

C6H13N3 — CID 163752584

IUPAC3-amino-2,2-dimethylbut-3-enimidamide
SMILES[H]/N=C(\N)C(C)(C)C(=C)N
InChIInChI=1S/C6H13N3/c1-4(7)6(2,3)5(8)9/h1,7H2,2-3H3,(H3,8,9)
InChIKeyLRGSYAYRSURDGL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds2

About 3-amino-2,2-dimethylbut-3-enimidamide

3-amino-2,2-dimethylbut-3-enimidamide (PubChem CID 163752584) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-amino-2,2-dimethylbut-3-enimidamide.

Molecular Properties

Compound Name3-amino-2,2-dimethylbut-3-enimidamide
PubChem CID163752584
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-amino-2,2-dimethylbut-3-enimidamide
SMILES[H]/N=C(\N)C(C)(C)C(=C)N
InChIInChI=1S/C6H13N3/c1-4(7)6(2,3)5(8)9/h1,7H2,2-3H3,(H3,8,9)
InChIKeyLRGSYAYRSURDGL-UHFFFAOYSA-N
XLogP0.42
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2,2-dimethylbut-3-enimidamide 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-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-diaminopropanimidamide
CID 87520938
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2-hydroxy-2-methylbutanimidamide
CID 23422942
3,3-dimethylbut-1-en-2-amine
CID 15393104
2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
CID 102530764
2-methyl-2-nitrosopropanimidamide
CID 55282032
2,2-dichloropropanediimidamide
CID 4114057
2,2,4,4-tetramethylhexanimidamide
CID 123171886

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylbut-3-enimidamide?
The IUPAC name of 3-amino-2,2-dimethylbut-3-enimidamide (CID 163752584) is 3-amino-2,2-dimethylbut-3-enimidamide.
What is the SMILES notation for 3-amino-2,2-dimethylbut-3-enimidamide?
The canonical SMILES for 3-amino-2,2-dimethylbut-3-enimidamide is [H]/N=C(\N)C(C)(C)C(=C)N.
What is the InChIKey of 3-amino-2,2-dimethylbut-3-enimidamide?
The InChIKey is LRGSYAYRSURDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4(7)6(2,3)5(8)9/h1,7H2,2-3H3,(H3,8,9).
What are the key properties of 3-amino-2,2-dimethylbut-3-enimidamide?
3-amino-2,2-dimethylbut-3-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylbut-3-enimidamide is sourced from PubChem (CID 163752584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).