1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine

C10H22N6 — CID 176546861

IUPAC1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC1CCN(C(C)C)C1
InChIInChI=1S/C10H22N6/c1-7(2)16-4-3-8(6-16)5-14-10(13)15-9(11)12/h7-8H,3-6H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyLXILSGLJSMFKJU-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.49
Rot. Bonds3

About 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine

1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 176546861) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
PubChem CID176546861
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC1CCN(C(C)C)C1
InChIInChI=1S/C10H22N6/c1-7(2)16-4-3-8(6-16)5-14-10(13)15-9(11)12/h7-8H,3-6H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyLXILSGLJSMFKJU-UHFFFAOYSA-N
XLogP-0.49
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.49
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-propan-2-yl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086324
1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086316
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 104884569
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
CID 130787512
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086348
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
1-(3-propan-2-ylphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111086361
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
1-[(2S)-butan-2-yl]-2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]guanidine
CID 95143617
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine (CID 176546861) is 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine is [H]/N=C(\N)N/C(N)=N/CC1CCN(C(C)C)C1.
What is the InChIKey of 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is LXILSGLJSMFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-7(2)16-4-3-8(6-16)5-14-10(13)15-9(11)12/h7-8H,3-6H2,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 226.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 176546861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).