N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine

C8H19N — CID 71309796

IUPACN-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
SMILESCCN([13CH]([13CH3])[13CH3])[13CH]([13CH3])[13CH3]
InChIInChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3/i2+1,3+1,4+1,5+1,7+1,8+1
InChIKeyJGFZNNIVVJXRND-CLQMYPOBSA-N
MW135.20 g/mol
LogP2.13
Rot. Bonds3

About N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine

N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine (PubChem CID 71309796) has the molecular formula C8H19N and a molecular weight of 135.20 g/mol. Its IUPAC name is N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
PubChem CID71309796
Molecular FormulaC8H19N
Molecular Weight135.20 g/mol
Exact Mass135.17
IUPAC NameN-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
SMILESCCN([13CH]([13CH3])[13CH3])[13CH]([13CH3])[13CH3]
InChIInChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3/i2+1,3+1,4+1,5+1,7+1,8+1
InChIKeyJGFZNNIVVJXRND-CLQMYPOBSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
Lithium diisopropylethylamine
CID 86615685
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
CID 174682450
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
CID 87772214
N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
CID 174977414
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
ethenone;N-ethyl-N-propan-2-ylpropan-2-amine
CID 91070858
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine?
The IUPAC name of N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine (CID 71309796) is N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine.
What is the SMILES notation for N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine?
The canonical SMILES for N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine is CCN([13CH]([13CH3])[13CH3])[13CH]([13CH3])[13CH3].
What is the InChIKey of N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine?
The InChIKey is JGFZNNIVVJXRND-CLQMYPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3/i2+1,3+1,4+1,5+1,7+1,8+1.
What are the key properties of N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine?
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine has a molecular weight of 135.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine is sourced from PubChem (CID 71309796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).