(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride

C5H10Cl3N — CID 118207124

IUPAC(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
SMILESC[C@H](N)[C@@H]1CC1(Cl)Cl.Cl
InChIInChI=1S/C5H9Cl2N.ClH/c1-3(8)4-2-5(4,6)7;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyJVHRGLXYUAIUIE-MMALYQPHSA-N
MW190.50 g/mol
LogP1.95
Rot. Bonds1

About (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride

(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride (PubChem CID 118207124) has the molecular formula C5H10Cl3N and a molecular weight of 190.50 g/mol. Its IUPAC name is (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
PubChem CID118207124
Molecular FormulaC5H10Cl3N
Molecular Weight190.50 g/mol
Exact Mass188.99
IUPAC Name(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
SMILESC[C@H](N)[C@@H]1CC1(Cl)Cl.Cl
InChIInChI=1S/C5H9Cl2N.ClH/c1-3(8)4-2-5(4,6)7;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyJVHRGLXYUAIUIE-MMALYQPHSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
CID 90020083
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
CID 146435893
(1R)-1-spiro[2.2]pentan-2-ylethanamine
CID 164643941
1-spiro[2.2]pentan-2-ylethanamine
CID 130955875
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
CID 125477604
1-[2-(1-aminoethyl)cyclobutyl]ethanamine
CID 22627804
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
CID 131212065
1-(2-methyl-2-prop-2-ynylcyclopropyl)ethanamine
CID 163827959
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
ethane-1,1-diamine;tetrahydrochloride
CID 142050640
1-(2-propan-2-ylcyclobutyl)ethanamine
CID 147498269

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride (CID 118207124) is (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride is C[C@H](N)[C@@H]1CC1(Cl)Cl.Cl.
What is the InChIKey of (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride?
The InChIKey is JVHRGLXYUAIUIE-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9Cl2N.ClH/c1-3(8)4-2-5(4,6)7;/h3-4H,2,8H2,1H3;1H/t3-,4-;/m0./s1.
What are the key properties of (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride?
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride has a molecular weight of 190.50 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride is sourced from PubChem (CID 118207124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).