1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine

C9H19Cl2N — CID 10013395

IUPAC1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
SMILESCCN(CC)C(Cl)(Cl)C(C)(C)C
InChIInChI=1S/C9H19Cl2N/c1-6-12(7-2)9(10,11)8(3,4)5/h6-7H2,1-5H3
InChIKeyVTXGGEPTSUSFSL-UHFFFAOYSA-N
MW212.16 g/mol
LogP3.51
Rot. Bonds3

About 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine

1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine (PubChem CID 10013395) has the molecular formula C9H19Cl2N and a molecular weight of 212.16 g/mol. Its IUPAC name is 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
PubChem CID10013395
Molecular FormulaC9H19Cl2N
Molecular Weight212.16 g/mol
Exact Mass211.09
IUPAC Name1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
SMILESCCN(CC)C(Cl)(Cl)C(C)(C)C
InChIInChI=1S/C9H19Cl2N/c1-6-12(7-2)9(10,11)8(3,4)5/h6-7H2,1-5H3
InChIKeyVTXGGEPTSUSFSL-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine (CID 10013395) is 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine is CCN(CC)C(Cl)(Cl)C(C)(C)C.
What is the InChIKey of 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine?
The InChIKey is VTXGGEPTSUSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2N/c1-6-12(7-2)9(10,11)8(3,4)5/h6-7H2,1-5H3.
What are the key properties of 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine?
1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine has a molecular weight of 212.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 10013395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).