2,4-dichloro-2-methylbutan-1-amine;hydrochloride

C5H12Cl3N — CID 87356561

IUPAC2,4-dichloro-2-methylbutan-1-amine;hydrochloride
SMILESCC(Cl)(CN)CCCl.Cl
InChIInChI=1S/C5H11Cl2N.ClH/c1-5(7,4-8)2-3-6;/h2-4,8H2,1H3;1H
InChIKeyIFUKXWCAUKGPDZ-UHFFFAOYSA-N
MW192.52 g/mol
LogP1.99
Rot. Bonds3

About 2,4-dichloro-2-methylbutan-1-amine;hydrochloride

2,4-dichloro-2-methylbutan-1-amine;hydrochloride (PubChem CID 87356561) has the molecular formula C5H12Cl3N and a molecular weight of 192.52 g/mol. Its IUPAC name is 2,4-dichloro-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-2-methylbutan-1-amine;hydrochloride
PubChem CID87356561
Molecular FormulaC5H12Cl3N
Molecular Weight192.52 g/mol
Exact Mass191.00
IUPAC Name2,4-dichloro-2-methylbutan-1-amine;hydrochloride
SMILESCC(Cl)(CN)CCCl.Cl
InChIInChI=1S/C5H11Cl2N.ClH/c1-5(7,4-8)2-3-6;/h2-4,8H2,1H3;1H
InChIKeyIFUKXWCAUKGPDZ-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of 2,4-dichloro-2-methylbutan-1-amine;hydrochloride (CID 87356561) is 2,4-dichloro-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2,4-dichloro-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 2,4-dichloro-2-methylbutan-1-amine;hydrochloride is CC(Cl)(CN)CCCl.Cl.
What is the InChIKey of 2,4-dichloro-2-methylbutan-1-amine;hydrochloride?
The InChIKey is IFUKXWCAUKGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N.ClH/c1-5(7,4-8)2-3-6;/h2-4,8H2,1H3;1H.
What are the key properties of 2,4-dichloro-2-methylbutan-1-amine;hydrochloride?
2,4-dichloro-2-methylbutan-1-amine;hydrochloride has a molecular weight of 192.52 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 87356561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).