1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine

C7H17N5O — CID 176547033

IUPAC1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)(C)CO
InChIInChI=1S/C7H17N5O/c1-7(2,4-13)3-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyVQTXAFZXOIGGMP-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.20
Rot. Bonds3

About 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine

1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine (PubChem CID 176547033) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
PubChem CID176547033
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)(C)CO
InChIInChI=1S/C7H17N5O/c1-7(2,4-13)3-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyVQTXAFZXOIGGMP-UHFFFAOYSA-N
XLogP-1.20
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
CID 176522224
CID 176522224
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine (CID 176547033) is 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine is [H]/N=C(\N)N/C(N)=N/CC(C)(C)CO.
What is the InChIKey of 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine?
The InChIKey is VQTXAFZXOIGGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-7(2,4-13)3-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine?
1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine has a molecular weight of 187.25 g/mol, XLogP of -1.20, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine is sourced from PubChem (CID 176547033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).