(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride

C5H11Cl2NO — CID 87149125

IUPAC(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride
SMILESCN(C)[C@](C)(Cl)C=O.Cl
InChIInChI=1S/C5H10ClNO.ClH/c1-5(6,4-8)7(2)3;/h4H,1-3H3;1H/t5-;/m0./s1
InChIKeyJTXJVIYXLDTXAT-JEDNCBNOSA-N
MW172.05 g/mol
LogP1.12
Rot. Bonds2

About (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride

(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride (PubChem CID 87149125) has the molecular formula C5H11Cl2NO and a molecular weight of 172.05 g/mol. Its IUPAC name is (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride.

Molecular Properties

Compound Name(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride
PubChem CID87149125
Molecular FormulaC5H11Cl2NO
Molecular Weight172.05 g/mol
Exact Mass171.02
IUPAC Name(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride
SMILESCN(C)[C@](C)(Cl)C=O.Cl
InChIInChI=1S/C5H10ClNO.ClH/c1-5(6,4-8)7(2)3;/h4H,1-3H3;1H/t5-;/m0./s1
InChIKeyJTXJVIYXLDTXAT-JEDNCBNOSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.05
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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(1,1-dichloro-2-oxoethyl)-trimethylazanium
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2-bromo-2-chloropropanedial
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2-chloro-2-methylbutanal
CID 13199209
CID 172712247
CID 172712247
alumane;2,2-dimethylpropanal
CID 173462477
CID 88532810
CID 88532810
N,N-dimethylformamide;molecular chlorine
CID 86751989
2-amino-2-(dimethylamino)butanal
CID 87544276
N,N-dimethylformamide;gold;hydrochloride
CID 174891065
CID 172860524
CID 172860524
2-methyl-2-sulfanylpropanal
CID 21408508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride?
The IUPAC name of (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride (CID 87149125) is (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride.
What is the SMILES notation for (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride?
The canonical SMILES for (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride is CN(C)[C@](C)(Cl)C=O.Cl.
What is the InChIKey of (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride?
The InChIKey is JTXJVIYXLDTXAT-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H10ClNO.ClH/c1-5(6,4-8)7(2)3;/h4H,1-3H3;1H/t5-;/m0./s1.
What are the key properties of (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride?
(2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride has a molecular weight of 172.05 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-(dimethylamino)propanal;hydrochloride is sourced from PubChem (CID 87149125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).