1-chloro-N,N-dimethylpropan-2-amine;hydrochloride

C5H13Cl2N — CID 28427

IUPAC1-chloro-N,N-dimethylpropan-2-amine;hydrochloride
SMILESCC(CCl)N(C)C.Cl
InChIInChI=1S/C5H12ClN.ClH/c1-5(4-6)7(2)3;/h5H,4H2,1-3H3;1H
InChIKeyXVJVDXVBVSCWOF-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.60
Rot. Bonds2

About 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride

1-chloro-N,N-dimethylpropan-2-amine;hydrochloride (PubChem CID 28427) has the molecular formula C5H13Cl2N and a molecular weight of 158.07 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-chloro-N,N-dimethylpropan-2-amine;hydrochloride
PubChem CID28427
Molecular FormulaC5H13Cl2N
Molecular Weight158.07 g/mol
Exact Mass157.04
IUPAC Name1-chloro-N,N-dimethylpropan-2-amine;hydrochloride
SMILESCC(CCl)N(C)C.Cl
InChIInChI=1S/C5H12ClN.ClH/c1-5(4-6)7(2)3;/h5H,4H2,1-3H3;1H
InChIKeyXVJVDXVBVSCWOF-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride?
The IUPAC name of 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride (CID 28427) is 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride is CC(CCl)N(C)C.Cl.
What is the InChIKey of 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride?
The InChIKey is XVJVDXVBVSCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN.ClH/c1-5(4-6)7(2)3;/h5H,4H2,1-3H3;1H.
What are the key properties of 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride?
1-chloro-N,N-dimethylpropan-2-amine;hydrochloride has a molecular weight of 158.07 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylpropan-2-amine;hydrochloride is sourced from PubChem (CID 28427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).