1-(propan-2-ylamino)butan-2-one

C7H15NO — CID 83635313

IUPAC1-(propan-2-ylamino)butan-2-one
SMILESCCC(=O)CNC(C)C
InChIInChI=1S/C7H15NO/c1-4-7(9)5-8-6(2)3/h6,8H,4-5H2,1-3H3
InChIKeyFJYSCVOVKFPDRM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds4

About 1-(propan-2-ylamino)butan-2-one

1-(propan-2-ylamino)butan-2-one (PubChem CID 83635313) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(propan-2-ylamino)butan-2-one.

Molecular Properties

Compound Name1-(propan-2-ylamino)butan-2-one
PubChem CID83635313
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(propan-2-ylamino)butan-2-one
SMILESCCC(=O)CNC(C)C
InChIInChI=1S/C7H15NO/c1-4-7(9)5-8-6(2)3/h6,8H,4-5H2,1-3H3
InChIKeyFJYSCVOVKFPDRM-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)butan-2-one?
The IUPAC name of 1-(propan-2-ylamino)butan-2-one (CID 83635313) is 1-(propan-2-ylamino)butan-2-one.
What is the SMILES notation for 1-(propan-2-ylamino)butan-2-one?
The canonical SMILES for 1-(propan-2-ylamino)butan-2-one is CCC(=O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)butan-2-one?
The InChIKey is FJYSCVOVKFPDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(9)5-8-6(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)butan-2-one?
1-(propan-2-ylamino)butan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)butan-2-one is sourced from PubChem (CID 83635313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).