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

C5H13IN4 — CID 87258181

IUPAC2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/N)C1CC1.I
InChIInChI=1S/C5H12N4.HI/c1-9(4-2-3-4)5(6)8-7;/h4H,2-3,7H2,1H3,(H2,6,8);1H
InChIKeyJKTHRRISKYEYTC-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.11
Rot. Bonds1

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

2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide (PubChem CID 87258181) has the molecular formula C5H13IN4 and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
PubChem CID87258181
Molecular FormulaC5H13IN4
Molecular Weight256.09 g/mol
Exact Mass256.02
IUPAC Name2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/N)C1CC1.I
InChIInChI=1S/C5H12N4.HI/c1-9(4-2-3-4)5(6)8-7;/h4H,2-3,7H2,1H3,(H2,6,8);1H
InChIKeyJKTHRRISKYEYTC-UHFFFAOYSA-N
XLogP-0.11
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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

2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 77054011
2-amino-1-methyl-1-(oxolan-3-yl)guanidine
CID 82740357
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
CID 110031921
1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 110030303
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
CID 110029751
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110031064

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide (CID 87258181) is 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide is CN(/C(N)=N/N)C1CC1.I.
What is the InChIKey of 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide?
The InChIKey is JKTHRRISKYEYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.HI/c1-9(4-2-3-4)5(6)8-7;/h4H,2-3,7H2,1H3,(H2,6,8);1H.
What are the key properties of 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide?
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide has a molecular weight of 256.09 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 87258181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).