[(1S)-2,2-dichlorocyclopropyl]methylazanium

C4H8Cl2N+ — CID 7128538

IUPAC[(1S)-2,2-dichlorocyclopropyl]methylazanium
SMILES[NH3+]C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/p+1/t3-/m0/s1
InChIKeyAZJBFYHLWRPAIH-VKHMYHEASA-O
MW141.02 g/mol
LogP0.42
Rot. Bonds1

About [(1S)-2,2-dichlorocyclopropyl]methylazanium

[(1S)-2,2-dichlorocyclopropyl]methylazanium (PubChem CID 7128538) has the molecular formula C4H8Cl2N+ and a molecular weight of 141.02 g/mol. Its IUPAC name is [(1S)-2,2-dichlorocyclopropyl]methylazanium.

Molecular Properties

Compound Name[(1S)-2,2-dichlorocyclopropyl]methylazanium
PubChem CID7128538
Molecular FormulaC4H8Cl2N+
Molecular Weight141.02 g/mol
Exact Mass140.00
IUPAC Name[(1S)-2,2-dichlorocyclopropyl]methylazanium
SMILES[NH3+]C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/p+1/t3-/m0/s1
InChIKeyAZJBFYHLWRPAIH-VKHMYHEASA-O
XLogP0.42
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.02
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Dichlorocyclopropyl)methanamine
CID 4961683
4,4,4-Trichlorobutylamine
CID 23423631
2-(2,2-Dichlorocyclopropyl)ethan-1-amine
CID 126812348
[(1R)-2,2-dichlorocyclopropyl]methanamine
CID 7128537
[(1S)-2,2-dichlorocyclopropyl]methanamine
CID 7128539
Dichloro(cyclopropyl)methanamine
CID 17888007
1-(2,2-dichlorocyclopropyl)-N-methylmethanamine
CID 60695413
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine
CID 90019205
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine
CID 90019515
[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine
CID 90019531
(R)-1-((R)-2,2-Dichlorocyclopropyl)ethan-1-amine
CID 90019534
(2,2-Dichloro-3-methylcyclopropyl)methanamine;hydrochloride
CID 90019606

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dichlorocyclopropyl]methylazanium?
The IUPAC name of [(1S)-2,2-dichlorocyclopropyl]methylazanium (CID 7128538) is [(1S)-2,2-dichlorocyclopropyl]methylazanium.
What is the SMILES notation for [(1S)-2,2-dichlorocyclopropyl]methylazanium?
The canonical SMILES for [(1S)-2,2-dichlorocyclopropyl]methylazanium is [NH3+]C[C@@H]1CC1(Cl)Cl.
What is the InChIKey of [(1S)-2,2-dichlorocyclopropyl]methylazanium?
The InChIKey is AZJBFYHLWRPAIH-VKHMYHEASA-O. The full InChI is InChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/p+1/t3-/m0/s1.
What are the key properties of [(1S)-2,2-dichlorocyclopropyl]methylazanium?
[(1S)-2,2-dichlorocyclopropyl]methylazanium has a molecular weight of 141.02 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dichlorocyclopropyl]methylazanium is sourced from PubChem (CID 7128538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).