trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride

C5H11ClN2 — CID 86641155

IUPACtrans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)[C@@H]1C[C@H]1C
InChIInChI=1S/C5H10N2.ClH/c1-3-2-4(3)5(6)7;/h3-4H,2H2,1H3,(H3,6,7);1H/t3-,4-;/m1./s1
InChIKeyZCODWWZBLBLZTR-VKKIDBQXSA-N
MW134.61 g/mol
LogP1.00
Rot. Bonds1

About trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride

trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride (PubChem CID 86641155) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride
PubChem CID86641155
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Nametrans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)[C@@H]1C[C@H]1C
InChIInChI=1S/C5H10N2.ClH/c1-3-2-4(3)5(6)7;/h3-4H,2H2,1H3,(H3,6,7);1H/t3-,4-;/m1./s1
InChIKeyZCODWWZBLBLZTR-VKKIDBQXSA-N
XLogP1.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride (CID 86641155) is trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is ZCODWWZBLBLZTR-VKKIDBQXSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-3-2-4(3)5(6)7;/h3-4H,2H2,1H3,(H3,6,7);1H/t3-,4-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride?
trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylcyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 86641155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).