1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide

C5H13IN4 — CID 67070956

IUPAC1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
SMILESC/N=C(\NN)NC1CC1.I
InChIInChI=1S/C5H12N4.HI/c1-7-5(9-6)8-4-2-3-4;/h4H,2-3,6H2,1H3,(H2,7,8,9);1H
InChIKeyXUVGHYBKLYNWEN-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.19
Rot. Bonds1

About 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide

1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide (PubChem CID 67070956) has the molecular formula C5H13IN4 and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
PubChem CID67070956
Molecular FormulaC5H13IN4
Molecular Weight256.09 g/mol
Exact Mass256.02
IUPAC Name1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
SMILESC/N=C(\NN)NC1CC1.I
InChIInChI=1S/C5H12N4.HI/c1-7-5(9-6)8-4-2-3-4;/h4H,2-3,6H2,1H3,(H2,7,8,9);1H
InChIKeyXUVGHYBKLYNWEN-UHFFFAOYSA-N
XLogP-0.19
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(1,1-dioxothian-4-yl)-2-methylguanidine
CID 104882020
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
CID 104882342
1-amino-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 104881960
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
CID 104883140
1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
CID 104881941
1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
CID 130774185
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 104886020

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide (CID 67070956) is 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide is C/N=C(\NN)NC1CC1.I.
What is the InChIKey of 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide?
The InChIKey is XUVGHYBKLYNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.HI/c1-7-5(9-6)8-4-2-3-4;/h4H,2-3,6H2,1H3,(H2,7,8,9);1H.
What are the key properties of 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide?
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide has a molecular weight of 256.09 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 67070956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).