1-(tert-butylamino)-4-methylidenehexan-2-one

C11H21NO — CID 116589016

IUPAC1-(tert-butylamino)-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-9(2)7-10(13)8-12-11(3,4)5/h12H,2,6-8H2,1,3-5H3
InChIKeyUOCMRIYTVGGQAH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.30
Rot. Bonds5

About 1-(tert-butylamino)-4-methylidenehexan-2-one

1-(tert-butylamino)-4-methylidenehexan-2-one (PubChem CID 116589016) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(tert-butylamino)-4-methylidenehexan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-4-methylidenehexan-2-one
PubChem CID116589016
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(tert-butylamino)-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-9(2)7-10(13)8-12-11(3,4)5/h12H,2,6-8H2,1,3-5H3
InChIKeyUOCMRIYTVGGQAH-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethylamino)hex-5-en-2-one
CID 114477998
4-Methylidene-1-(2,2,2-trifluoroethylamino)hexan-2-one
CID 116588753
4-(Tert-butylamino)-2,2,6-trimethylhept-6-en-3-one
CID 20750289
4-(Ethylamino)-6-methylhept-6-en-3-one
CID 89317461
2-Methyl-6-(2-methylbutan-2-ylamino)hex-1-en-3-one
CID 90949899
3-(2-Methylprop-2-enylamino)hexan-2-one
CID 91513290
2-Methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
(4S)-4-(ethylamino)-4-methylnon-8-en-3-one
CID 122498619
(3S)-3-methyl-3-(propylamino)oct-7-en-2-one
CID 129060042
(3S)-3-(propylamino)oct-7-en-2-one
CID 129060066
(E)-5-methyl-3-(methylamino)hept-5-en-2-one
CID 130329766
2,7-Dimethyl-4-(propan-2-ylamino)oct-7-en-3-one
CID 130433911

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-4-methylidenehexan-2-one?
The IUPAC name of 1-(tert-butylamino)-4-methylidenehexan-2-one (CID 116589016) is 1-(tert-butylamino)-4-methylidenehexan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-4-methylidenehexan-2-one?
The canonical SMILES for 1-(tert-butylamino)-4-methylidenehexan-2-one is C=C(CC)CC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-4-methylidenehexan-2-one?
The InChIKey is UOCMRIYTVGGQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(2)7-10(13)8-12-11(3,4)5/h12H,2,6-8H2,1,3-5H3.
What are the key properties of 1-(tert-butylamino)-4-methylidenehexan-2-one?
1-(tert-butylamino)-4-methylidenehexan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-4-methylidenehexan-2-one is sourced from PubChem (CID 116589016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).