4-(butylamino)butan-2-one

C8H17NO — CID 20647991

IUPAC4-(butylamino)butan-2-one
SMILESCCCCNCCC(C)=O
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9H,3-7H2,1-2H3
InChIKeyXXZWLPFHZPCOSF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.36
Rot. Bonds6

About 4-(butylamino)butan-2-one

4-(butylamino)butan-2-one (PubChem CID 20647991) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(butylamino)butan-2-one.

Molecular Properties

Compound Name4-(butylamino)butan-2-one
PubChem CID20647991
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(butylamino)butan-2-one
SMILESCCCCNCCC(C)=O
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9H,3-7H2,1-2H3
InChIKeyXXZWLPFHZPCOSF-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Tert-butylamino)butan-2-one
CID 1415656
2-t-Butylaminoethyl ketone
CID 58903028
Ethane;1-(2,2,2-trifluoroethylamino)pentan-3-one
CID 177981354
1-(Propylamino)pentan-2-one
CID 12987901
4-(Tert-butylamino)-3-methylbutan-2-one
CID 91972790
1-(Dimethylamino)-4-(ethylamino)butan-2-one
CID 83967333
1-Propylpiperidin-1-ium-4-one
CID 7017944
1-Fluoro-4-(methylamino)butan-2-one
CID 145162273
4-(Propylamino)butan-2-one
CID 238494
4-(Propan-2-ylamino)pentan-2-one
CID 10034735
4-(Tert-butylamino)butan-2-one
CID 12230531
4-(Ethylamino)butan-2-one
CID 12791216

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)butan-2-one?
The IUPAC name of 4-(butylamino)butan-2-one (CID 20647991) is 4-(butylamino)butan-2-one.
What is the SMILES notation for 4-(butylamino)butan-2-one?
The canonical SMILES for 4-(butylamino)butan-2-one is CCCCNCCC(C)=O.
What is the InChIKey of 4-(butylamino)butan-2-one?
The InChIKey is XXZWLPFHZPCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9H,3-7H2,1-2H3.
What are the key properties of 4-(butylamino)butan-2-one?
4-(butylamino)butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)butan-2-one is sourced from PubChem (CID 20647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).