1,1-dideuterio-N,N-dimethylethanamine

C4H11N — CID 12556477

IUPAC1,1-dideuterio-N,N-dimethylethanamine
SMILES[2H]C([2H])(C)N(C)C
InChIInChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/i4D2
InChIKeyDAZXVJBJRMWXJP-APZFVMQVSA-N
MW75.15 g/mol
LogP0.57
Rot. Bonds1

About 1,1-dideuterio-N,N-dimethylethanamine

1,1-dideuterio-N,N-dimethylethanamine (PubChem CID 12556477) has the molecular formula C4H11N and a molecular weight of 75.15 g/mol. Its IUPAC name is 1,1-dideuterio-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,1-dideuterio-N,N-dimethylethanamine
PubChem CID12556477
Molecular FormulaC4H11N
Molecular Weight75.15 g/mol
Exact Mass75.10
IUPAC Name1,1-dideuterio-N,N-dimethylethanamine
SMILES[2H]C([2H])(C)N(C)C
InChIInChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/i4D2
InChIKeyDAZXVJBJRMWXJP-APZFVMQVSA-N
XLogP0.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N,N-dimethylethanamine?
The IUPAC name of 1,1-dideuterio-N,N-dimethylethanamine (CID 12556477) is 1,1-dideuterio-N,N-dimethylethanamine.
What is the SMILES notation for 1,1-dideuterio-N,N-dimethylethanamine?
The canonical SMILES for 1,1-dideuterio-N,N-dimethylethanamine is [2H]C([2H])(C)N(C)C.
What is the InChIKey of 1,1-dideuterio-N,N-dimethylethanamine?
The InChIKey is DAZXVJBJRMWXJP-APZFVMQVSA-N. The full InChI is InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/i4D2.
What are the key properties of 1,1-dideuterio-N,N-dimethylethanamine?
1,1-dideuterio-N,N-dimethylethanamine has a molecular weight of 75.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N,N-dimethylethanamine is sourced from PubChem (CID 12556477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).