1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine

C9H22N6 — CID 176546798

IUPAC1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)(C)CN(C)C
InChIInChI=1S/C9H22N6/c1-9(2,6-15(3)4)5-13-8(12)14-7(10)11/h5-6H2,1-4H3,(H6,10,11,12,13,14)
InChIKeyDZIQPEFNRGSIHP-UHFFFAOYSA-N
MW214.32 g/mol
LogP-0.63
Rot. Bonds4

About 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine

1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine (PubChem CID 176546798) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
PubChem CID176546798
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC Name1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)(C)CN(C)C
InChIInChI=1S/C9H22N6/c1-9(2,6-15(3)4)5-13-8(12)14-7(10)11/h5-6H2,1-4H3,(H6,10,11,12,13,14)
InChIKeyDZIQPEFNRGSIHP-UHFFFAOYSA-N
XLogP-0.63
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
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-hydroxy-2,2-dimethylpropyl)guanidine
CID 176547033
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025944
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
CID 176520724
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-hexylguanidine
CID 176518657

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine (CID 176546798) is 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine is [H]/N=C(\N)N/C(N)=N/CC(C)(C)CN(C)C.
What is the InChIKey of 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine?
The InChIKey is DZIQPEFNRGSIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N6/c1-9(2,6-15(3)4)5-13-8(12)14-7(10)11/h5-6H2,1-4H3,(H6,10,11,12,13,14).
What are the key properties of 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine?
1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine has a molecular weight of 214.32 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine is sourced from PubChem (CID 176546798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).