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

C8H17NO — CID 11819174

IUPAC3-methyl-1-(propan-2-ylamino)butan-2-one
SMILESCC(C)NCC(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(10)5-9-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyOUGMCWFCRRKTIV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-1-(propan-2-ylamino)butan-2-one

3-methyl-1-(propan-2-ylamino)butan-2-one (PubChem CID 11819174) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-1-(propan-2-ylamino)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(propan-2-ylamino)butan-2-one
PubChem CID11819174
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-1-(propan-2-ylamino)butan-2-one
SMILESCC(C)NCC(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(10)5-9-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyOUGMCWFCRRKTIV-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propan-2-ylamino)butan-2-one?
The IUPAC name of 3-methyl-1-(propan-2-ylamino)butan-2-one (CID 11819174) is 3-methyl-1-(propan-2-ylamino)butan-2-one.
What is the SMILES notation for 3-methyl-1-(propan-2-ylamino)butan-2-one?
The canonical SMILES for 3-methyl-1-(propan-2-ylamino)butan-2-one is CC(C)NCC(=O)C(C)C.
What is the InChIKey of 3-methyl-1-(propan-2-ylamino)butan-2-one?
The InChIKey is OUGMCWFCRRKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8(10)5-9-7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 3-methyl-1-(propan-2-ylamino)butan-2-one?
3-methyl-1-(propan-2-ylamino)butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propan-2-ylamino)butan-2-one is sourced from PubChem (CID 11819174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).