1-(tert-butylamino)butan-2-one

C8H17NO — CID 1415656

IUPAC1-(tert-butylamino)butan-2-one
SMILESCCC(=O)CNC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-7(10)6-9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyQHBWZFDMTMEMHJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds3

About 1-(tert-butylamino)butan-2-one

1-(tert-butylamino)butan-2-one (PubChem CID 1415656) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(tert-butylamino)butan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)butan-2-one
PubChem CID1415656
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(tert-butylamino)butan-2-one
SMILESCCC(=O)CNC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-7(10)6-9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyQHBWZFDMTMEMHJ-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)butan-2-one?
The IUPAC name of 1-(tert-butylamino)butan-2-one (CID 1415656) is 1-(tert-butylamino)butan-2-one.
What is the SMILES notation for 1-(tert-butylamino)butan-2-one?
The canonical SMILES for 1-(tert-butylamino)butan-2-one is CCC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)butan-2-one?
The InChIKey is QHBWZFDMTMEMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-7(10)6-9-8(2,3)4/h9H,5-6H2,1-4H3.
What are the key properties of 1-(tert-butylamino)butan-2-one?
1-(tert-butylamino)butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)butan-2-one is sourced from PubChem (CID 1415656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).