N-(1,2-13C2)ethyl(1,2-13C2)ethanamine

C4H11N — CID 71309791

IUPACN-(1,2-13C2)ethyl(1,2-13C2)ethanamine
SMILES[13CH3][13CH2]N[13CH2][13CH3]
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1+1,2+1,3+1,4+1
InChIKeyHPNMFZURTQLUMO-JCDJMFQYSA-N
MW77.11 g/mol
LogP0.62
Rot. Bonds2

About N-(1,2-13C2)ethyl(1,2-13C2)ethanamine

N-(1,2-13C2)ethyl(1,2-13C2)ethanamine (PubChem CID 71309791) has the molecular formula C4H11N and a molecular weight of 77.11 g/mol. Its IUPAC name is N-(1,2-13C2)ethyl(1,2-13C2)ethanamine.

Molecular Properties

Compound NameN-(1,2-13C2)ethyl(1,2-13C2)ethanamine
PubChem CID71309791
Molecular FormulaC4H11N
Molecular Weight77.11 g/mol
Exact Mass77.10
IUPAC NameN-(1,2-13C2)ethyl(1,2-13C2)ethanamine
SMILES[13CH3][13CH2]N[13CH2][13CH3]
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1+1,2+1,3+1,4+1
InChIKeyHPNMFZURTQLUMO-JCDJMFQYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.11
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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tetrakis(N-ethylethanamine);phosphane;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of N-(1,2-13C2)ethyl(1,2-13C2)ethanamine?
The IUPAC name of N-(1,2-13C2)ethyl(1,2-13C2)ethanamine (CID 71309791) is N-(1,2-13C2)ethyl(1,2-13C2)ethanamine.
What is the SMILES notation for N-(1,2-13C2)ethyl(1,2-13C2)ethanamine?
The canonical SMILES for N-(1,2-13C2)ethyl(1,2-13C2)ethanamine is [13CH3][13CH2]N[13CH2][13CH3].
What is the InChIKey of N-(1,2-13C2)ethyl(1,2-13C2)ethanamine?
The InChIKey is HPNMFZURTQLUMO-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1+1,2+1,3+1,4+1.
What are the key properties of N-(1,2-13C2)ethyl(1,2-13C2)ethanamine?
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine has a molecular weight of 77.11 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-13C2)ethyl(1,2-13C2)ethanamine is sourced from PubChem (CID 71309791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).