N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one

C13H24N2O — CID 68518788

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one
SMILESCCN(C(C)C)C(C)C.O=c1cccc[nH]1
InChIInChI=1S/C8H19N.C5H5NO/c1-6-9(7(2)3)8(4)5;7-5-3-1-2-4-6-5/h7-8H,6H2,1-5H3;1-4H,(H,6,7)
InChIKeyZXBSAERQTGCEBP-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.50
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one

N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one (PubChem CID 68518788) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one
PubChem CID68518788
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one
SMILESCCN(C(C)C)C(C)C.O=c1cccc[nH]1
InChIInChI=1S/C8H19N.C5H5NO/c1-6-9(7(2)3)8(4)5;7-5-3-1-2-4-6-5/h7-8H,6H2,1-5H3;1-4H,(H,6,7)
InChIKeyZXBSAERQTGCEBP-UHFFFAOYSA-N
XLogP2.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131852568
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ethane;pyrazine;1H-pyridin-2-one
CID 145202004
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
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2-hydroxypropanedioic acid;1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one (CID 68518788) is N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one is CCN(C(C)C)C(C)C.O=c1cccc[nH]1.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one?
The InChIKey is ZXBSAERQTGCEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H5NO/c1-6-9(7(2)3)8(4)5;7-5-3-1-2-4-6-5/h7-8H,6H2,1-5H3;1-4H,(H,6,7).
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one?
N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one is sourced from PubChem (CID 68518788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).