butan-1-ol;ethane;2-methylpropanamide

C10H25NO2 — CID 142541326

IUPACbutan-1-ol;ethane;2-methylpropanamide
SMILESCC.CC(C)C(N)=O.CCCCO
InChIInChI=1S/C4H9NO.C4H10O.C2H6/c1-3(2)4(5)6;1-2-3-4-5;1-2/h3H,1-2H3,(H2,5,6);5H,2-4H2,1H3;1-2H3
InChIKeyKPGXLLSLUFCBGO-UHFFFAOYSA-N
MW191.31 g/mol
LogP1.93
Rot. Bonds3

About butan-1-ol;ethane;2-methylpropanamide

butan-1-ol;ethane;2-methylpropanamide (PubChem CID 142541326) has the molecular formula C10H25NO2 and a molecular weight of 191.31 g/mol. Its IUPAC name is butan-1-ol;ethane;2-methylpropanamide.

Molecular Properties

Compound Namebutan-1-ol;ethane;2-methylpropanamide
PubChem CID142541326
Molecular FormulaC10H25NO2
Molecular Weight191.31 g/mol
Exact Mass191.19
IUPAC Namebutan-1-ol;ethane;2-methylpropanamide
SMILESCC.CC(C)C(N)=O.CCCCO
InChIInChI=1S/C4H9NO.C4H10O.C2H6/c1-3(2)4(5)6;1-2-3-4-5;1-2/h3H,1-2H3,(H2,5,6);5H,2-4H2,1H3;1-2H3
InChIKeyKPGXLLSLUFCBGO-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane;2-methylpropanamide?
The IUPAC name of butan-1-ol;ethane;2-methylpropanamide (CID 142541326) is butan-1-ol;ethane;2-methylpropanamide.
What is the SMILES notation for butan-1-ol;ethane;2-methylpropanamide?
The canonical SMILES for butan-1-ol;ethane;2-methylpropanamide is CC.CC(C)C(N)=O.CCCCO.
What is the InChIKey of butan-1-ol;ethane;2-methylpropanamide?
The InChIKey is KPGXLLSLUFCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H10O.C2H6/c1-3(2)4(5)6;1-2-3-4-5;1-2/h3H,1-2H3,(H2,5,6);5H,2-4H2,1H3;1-2H3.
What are the key properties of butan-1-ol;ethane;2-methylpropanamide?
butan-1-ol;ethane;2-methylpropanamide has a molecular weight of 191.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane;2-methylpropanamide is sourced from PubChem (CID 142541326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).