4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one

C19H37NO — CID 175631076

IUPAC4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one
SMILESC=C(CCCC(NC(C)(C)C)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H37NO/c1-14(17(2,3)4)12-11-13-15(20-19(8,9)10)16(21)18(5,6)7/h15,20H,1,11-13H2,2-10H3
InChIKeyVOIRZDWUJDJBHV-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.13
Rot. Bonds6

About 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one

4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one (PubChem CID 175631076) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one.

Molecular Properties

Compound Name4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one
PubChem CID175631076
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one
SMILESC=C(CCCC(NC(C)(C)C)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H37NO/c1-14(17(2,3)4)12-11-13-15(20-19(8,9)10)16(21)18(5,6)7/h15,20H,1,11-13H2,2-10H3
InChIKeyVOIRZDWUJDJBHV-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one?
The IUPAC name of 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one (CID 175631076) is 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one.
What is the SMILES notation for 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one?
The canonical SMILES for 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one is C=C(CCCC(NC(C)(C)C)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one?
The InChIKey is VOIRZDWUJDJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14(17(2,3)4)12-11-13-15(20-19(8,9)10)16(21)18(5,6)7/h15,20H,1,11-13H2,2-10H3.
What are the key properties of 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one?
4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one has a molecular weight of 295.51 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2,2,9,9-tetramethyl-8-methylidenedecan-3-one is sourced from PubChem (CID 175631076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).