1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine

C7H18N6 — CID 176546971

IUPAC1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)N(C)C
InChIInChI=1S/C7H18N6/c1-5(13(2)3)4-11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12)
InChIKeyCIMCWMDUYLUVGL-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.27
Rot. Bonds3

About 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine

1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine (PubChem CID 176546971) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
PubChem CID176546971
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Name1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(C)N(C)C
InChIInChI=1S/C7H18N6/c1-5(13(2)3)4-11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12)
InChIKeyCIMCWMDUYLUVGL-UHFFFAOYSA-N
XLogP-1.27
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.27
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

2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
CID 62483535
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
CID 176518157
1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
CID 176520724
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
CID 176547033
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine (CID 176546971) is 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine is [H]/N=C(\N)N/C(N)=N/CC(C)N(C)C.
What is the InChIKey of 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine?
The InChIKey is CIMCWMDUYLUVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c1-5(13(2)3)4-11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine?
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -1.27, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine is sourced from PubChem (CID 176546971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).