2-deuterio-N-methylpropan-2-amine

C4H11N — CID 59872547

IUPAC2-deuterio-N-methylpropan-2-amine
SMILES[2H]C(C)(C)NC
InChIInChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3/i4D
InChIKeyXHFGWHUWQXTGAT-QYKNYGDISA-N
MW74.15 g/mol
LogP0.61
Rot. Bonds1

About 2-deuterio-N-methylpropan-2-amine

2-deuterio-N-methylpropan-2-amine (PubChem CID 59872547) has the molecular formula C4H11N and a molecular weight of 74.15 g/mol. Its IUPAC name is 2-deuterio-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-deuterio-N-methylpropan-2-amine
PubChem CID59872547
Molecular FormulaC4H11N
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Name2-deuterio-N-methylpropan-2-amine
SMILES[2H]C(C)(C)NC
InChIInChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3/i4D
InChIKeyXHFGWHUWQXTGAT-QYKNYGDISA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N-methylpropan-2-amine?
The IUPAC name of 2-deuterio-N-methylpropan-2-amine (CID 59872547) is 2-deuterio-N-methylpropan-2-amine.
What is the SMILES notation for 2-deuterio-N-methylpropan-2-amine?
The canonical SMILES for 2-deuterio-N-methylpropan-2-amine is [2H]C(C)(C)NC.
What is the InChIKey of 2-deuterio-N-methylpropan-2-amine?
The InChIKey is XHFGWHUWQXTGAT-QYKNYGDISA-N. The full InChI is InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3/i4D.
What are the key properties of 2-deuterio-N-methylpropan-2-amine?
2-deuterio-N-methylpropan-2-amine has a molecular weight of 74.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N-methylpropan-2-amine is sourced from PubChem (CID 59872547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).